Monoterpenoids

A diverse, modified class of terpenoids comprising two isoprene units and containing oxygen functionality or missing a methyl group; they have relevance to the pharmaceutical, cosmetic, agricultural, and food industries.

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1 – 15 of 291 results

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(+)-3-Carene

CAS: 498-15-7 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00066417 InChI Key: BQOFWKZOCNGFEC-BDAKNGLRSA-N IUPAC Name: (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CC[C@@H]2[C@H](C1)C2(C)C

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CAS	498-15-7
Molecular Weight (g/mol)	136.24
MDL Number	MFCD00066417
SMILES	CC1=CC[C@@H]2[C@H](C1)C2(C)C
IUPAC Name	(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChI Key	BQOFWKZOCNGFEC-BDAKNGLRSA-N
Molecular Formula	C10H16

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Thermo Scientific Chemicals Thymolphthalein, ACS reagent

CAS: 125-20-2 Molecular Formula: C₂₈H₃₀O₄ Molecular Weight (g/mol): 430.53 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

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Specifications

PubChem CID	31316
CAS	125-20-2
Molecular Weight (g/mol)	430.53
SMILES	CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
Synonym	thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one
IUPAC Name	3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
InChI Key	LDKDGDIWEUUXSH-UHFFFAOYSA-N
Molecular Formula	C₂₈H₃₀O₄

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(1R,E)-(+)-Camphorquinone 3-oxime, 99%, Thermo Scientific Chemicals

CAS: 31571-14-9 Molecular Formula: C10H15NO2 Molecular Weight (g/mol): 181.235 MDL Number: MFCD00074848 InChI Key: YRNPDSREMSMKIY-WKEGUHRASA-N Synonym: anti-1r-+-camphorquinone3-oxime,1s,4r-2-hydroxyimino-4,7,7-trimethylbicyclo 2.2.1 heptan-3-one PubChem CID: 23308125 IUPAC Name: (1R,4R)-2-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC1(C(=O)C2=NO)C)C

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Specifications

PubChem CID	23308125
CAS	31571-14-9
Molecular Weight (g/mol)	181.235
MDL Number	MFCD00074848
SMILES	CC1(C2CCC1(C(=O)C2=NO)C)C
Synonym	anti-1r-+-camphorquinone3-oxime,1s,4r-2-hydroxyimino-4,7,7-trimethylbicyclo 2.2.1 heptan-3-one
IUPAC Name	(1R,4R)-2-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	YRNPDSREMSMKIY-WKEGUHRASA-N
Molecular Formula	C10H15NO2

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(R)-(+)-Limonene, 96%

CAS: 5989-27-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00062991 InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N Synonym: d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene PubChem CID: 440917 ChEBI: CHEBI:15382 IUPAC Name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene SMILES: CC(=C)[C@@H]1CCC(C)=CC1

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Specifications

PubChem CID	440917
CAS	5989-27-5
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:15382
MDL Number	MFCD00062991
SMILES	CC(=C)[C@@H]1CCC(C)=CC1
Synonym	d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene
IUPAC Name	(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
InChI Key	XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular Formula	C10H16

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Linalool, 97%

CAS: 78-70-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00008906 InChI Key: CDOSHBSSFJOMGT-UHFFFAOYSA-N Synonym: linalool,linalol,3,7-dimethyl-1,6-octadien-3-ol,allo-ocimenol,beta-linalool,linalyl alcohol,1,6-octadien-3-ol, 3,7-dimethyl,+--linalool,p-linalool,linanool PubChem CID: 6549 ChEBI: CHEBI:17580 IUPAC Name: 3,7-dimethylocta-1,6-dien-3-ol SMILES: CC(=CCCC(C)(C=C)O)C

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Specifications

PubChem CID	6549
CAS	78-70-6
Molecular Weight (g/mol)	154.253
ChEBI	CHEBI:17580
MDL Number	MFCD00008906
SMILES	CC(=CCCC(C)(C=C)O)C
Synonym	linalool,linalol,3,7-dimethyl-1,6-octadien-3-ol,allo-ocimenol,beta-linalool,linalyl alcohol,1,6-octadien-3-ol, 3,7-dimethyl,+--linalool,p-linalool,linanool
IUPAC Name	3,7-dimethylocta-1,6-dien-3-ol
InChI Key	CDOSHBSSFJOMGT-UHFFFAOYSA-N
Molecular Formula	C10H18O

alpha-Terpineol, 96%

CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O

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Specifications

PubChem CID	17100
CAS	98-55-5
Molecular Weight (g/mol)	154.253
ChEBI	CHEBI:22469
MDL Number	MFCD00001557
SMILES	CC1=CCC(CC1)C(C)(C)O
Synonym	alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol
IUPAC Name	2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
InChI Key	WUOACPNHFRMFPN-UHFFFAOYSA-N
Molecular Formula	C10H18O

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p-Cymene, 97%

CAS: 99-87-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00008893 InChI Key: HFPZCAJZSCWRBC-UHFFFAOYSA-N Synonym: p-cymene,4-isopropyltoluene,p-isopropyltoluene,dolcymene,p-cymol,paracymene,cymene,para-cymene,1-isopropyl-4-methylbenzene,camphogen PubChem CID: 7463 ChEBI: CHEBI:28768 IUPAC Name: 1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C

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Specifications

PubChem CID	7463
CAS	99-87-6
Molecular Weight (g/mol)	134.222
ChEBI	CHEBI:28768
MDL Number	MFCD00008893
SMILES	CC1=CC=C(C=C1)C(C)C
Synonym	p-cymene,4-isopropyltoluene,p-isopropyltoluene,dolcymene,p-cymol,paracymene,cymene,para-cymene,1-isopropyl-4-methylbenzene,camphogen
IUPAC Name	1-methyl-4-propan-2-ylbenzene
InChI Key	HFPZCAJZSCWRBC-UHFFFAOYSA-N
Molecular Formula	C10H14

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DL-Menthol, 99%

CAS: 89-78-1 Molecular Formula: C₁₀H₂₀O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00001484 InChI Key: NOOLISFMXDJSKH-IVZWLZJFSA-N Synonym: menthol,dl-menthol,2-isopropyl-5-methylcyclohexanol,menthyl alcohol,cyclohexanol, 5-methyl-2-1-methylethyl,p-menthan-3-ol,racementhol,caswell no. 540,3-p-menthol,+-neo-menthol PubChem CID: 6566020 IUPAC Name: (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(C1)O)C(C)C

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Specifications

PubChem CID	6566020
CAS	89-78-1
Molecular Weight (g/mol)	156.27
MDL Number	MFCD00001484
SMILES	CC1CCC(C(C1)O)C(C)C
Synonym	menthol,dl-menthol,2-isopropyl-5-methylcyclohexanol,menthyl alcohol,cyclohexanol, 5-methyl-2-1-methylethyl,p-menthan-3-ol,racementhol,caswell no. 540,3-p-menthol,+-neo-menthol
IUPAC Name	(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
InChI Key	NOOLISFMXDJSKH-IVZWLZJFSA-N
Molecular Formula	C₁₀H₂₀O

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Menthone, 97%, mixture of isomers

CAS: 10458-14-7 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00062998 InChI Key: NFLGAXVYCFJBMK-UHFFFAOYSA-N Synonym: isomenthone,p-menthan-3-one,2-isopropyl-5-methylcyclohexanone,menthone,cyclohexanone, 5-methyl-2-1-methylethyl,5-methyl-2-1-methylethyl cyclohexanone,p-menthanone,2-isopropyl-5-methyl-cyclohexanone,p-menthan-3-one, dl,5-methyl-2-isopropyl cyclohexanone PubChem CID: 6986 ChEBI: CHEBI:36742 IUPAC Name: 5-methyl-2-propan-2-ylcyclohexan-1-one SMILES: CC1CCC(C(=O)C1)C(C)C

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Specifications

PubChem CID	6986
CAS	10458-14-7
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:36742
MDL Number	MFCD00062998
SMILES	CC1CCC(C(=O)C1)C(C)C
Synonym	isomenthone,p-menthan-3-one,2-isopropyl-5-methylcyclohexanone,menthone,cyclohexanone, 5-methyl-2-1-methylethyl,5-methyl-2-1-methylethyl cyclohexanone,p-menthanone,2-isopropyl-5-methyl-cyclohexanone,p-menthan-3-one, dl,5-methyl-2-isopropyl cyclohexanone
IUPAC Name	5-methyl-2-propan-2-ylcyclohexan-1-one
InChI Key	NFLGAXVYCFJBMK-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₈O

alpha-Terpineol, 97+%

CAS: 98-55-5 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O

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Specifications

PubChem CID	17100
CAS	98-55-5
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:22469
MDL Number	MFCD00001557
SMILES	CC1=CCC(CC1)C(C)(C)O
Synonym	alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol
IUPAC Name	2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
InChI Key	WUOACPNHFRMFPN-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₈O

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p-Cymene, 99+%

CAS: 99-87-6 Molecular Formula: C₁₀H₁₄ Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008893 InChI Key: HFPZCAJZSCWRBC-UHFFFAOYSA-N Synonym: p-cymene,4-isopropyltoluene,p-isopropyltoluene,dolcymene,p-cymol,paracymene,cymene,para-cymene,1-isopropyl-4-methylbenzene,camphogen PubChem CID: 7463 ChEBI: CHEBI:28768 IUPAC Name: 1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C

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Specifications

PubChem CID	7463
CAS	99-87-6
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:28768
MDL Number	MFCD00008893
SMILES	CC1=CC=C(C=C1)C(C)C
Synonym	p-cymene,4-isopropyltoluene,p-isopropyltoluene,dolcymene,p-cymol,paracymene,cymene,para-cymene,1-isopropyl-4-methylbenzene,camphogen
IUPAC Name	1-methyl-4-propan-2-ylbenzene
InChI Key	HFPZCAJZSCWRBC-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄

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Geraniol, 99%

CAS: 106-24-1 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00002917 InChI Key: GLZPCOQZEFWAFX-JXMROGBWSA-N Synonym: geraniol,lemonol,geranyl alcohol,trans-geraniol,e-geraniol,e-nerol,trans-3,7-dimethyl-2,6-octadien-1-ol,e-3,7-dimethylocta-2,6-dien-1-ol,2e-3,7-dimethylocta-2,6-dien-1-ol,geraniol extra PubChem CID: 637566 ChEBI: CHEBI:17447 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol SMILES: CC(=CCCC(=CCO)C)C

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Specifications

PubChem CID	637566
CAS	106-24-1
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:17447
MDL Number	MFCD00002917
SMILES	CC(=CCCC(=CCO)C)C
Synonym	geraniol,lemonol,geranyl alcohol,trans-geraniol,e-geraniol,e-nerol,trans-3,7-dimethyl-2,6-octadien-1-ol,e-3,7-dimethylocta-2,6-dien-1-ol,2e-3,7-dimethylocta-2,6-dien-1-ol,geraniol extra
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dien-1-ol
InChI Key	GLZPCOQZEFWAFX-JXMROGBWSA-N
Molecular Formula	C₁₀H₁₈O

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Menthofuran, 95%

CAS: 494-90-6 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00041851 InChI Key: YGWKXXYGDYYFJU-UHFFFAOYSA-N Synonym: menthofuran,menthofurane,3,9-epoxy-p-mentha-3,8-diene,benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl,p-mentha-3,8-diene, 3,9-epoxy,4,5,6,7-tetrahydro-3,6-dimethylbenzofuran,fema no. 3235,4,5,6,7-tetrahydro-3,6-dimethylcoumarone,r-menthofuran,3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan PubChem CID: 329983 ChEBI: CHEBI:50542 IUPAC Name: 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran SMILES: CC1CCC2=C(C1)OC=C2C

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Specifications

PubChem CID	329983
CAS	494-90-6
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:50542
MDL Number	MFCD00041851
SMILES	CC1CCC2=C(C1)OC=C2C
Synonym	menthofuran,menthofurane,3,9-epoxy-p-mentha-3,8-diene,benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl,p-mentha-3,8-diene, 3,9-epoxy,4,5,6,7-tetrahydro-3,6-dimethylbenzofuran,fema no. 3235,4,5,6,7-tetrahydro-3,6-dimethylcoumarone,r-menthofuran,3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan
IUPAC Name	3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
InChI Key	YGWKXXYGDYYFJU-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄O

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4-Isopropylphenylacetonitrile, 98+%

CAS: 4395-87-3 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.23 MDL Number: MFCD00040892 InChI Key: RIPHZOPMCRSGSI-UHFFFAOYSA-N Synonym: 4-isopropylphenylacetonitrile,2-4-isopropylphenyl acetonitrile,4-isopropylphenyl acetonitrile,2-4-propan-2-yl phenyl acetonitrile,4-propan-2-yl phenyl acetonitrile,pubchem17248,acmc-20ai20,2-4-propan-2-ylphenyl acetonitrile,2-4-methylethyl phenyl ethanenitrile PubChem CID: 138222 IUPAC Name: 2-(4-propan-2-ylphenyl)acetonitrile SMILES: CC(C)C1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	138222
CAS	4395-87-3
Molecular Weight (g/mol)	159.23
MDL Number	MFCD00040892
SMILES	CC(C)C1=CC=C(CC#N)C=C1
Synonym	4-isopropylphenylacetonitrile,2-4-isopropylphenyl acetonitrile,4-isopropylphenyl acetonitrile,2-4-propan-2-yl phenyl acetonitrile,4-propan-2-yl phenyl acetonitrile,pubchem17248,acmc-20ai20,2-4-propan-2-ylphenyl acetonitrile,2-4-methylethyl phenyl ethanenitrile
IUPAC Name	2-(4-propan-2-ylphenyl)acetonitrile
InChI Key	RIPHZOPMCRSGSI-UHFFFAOYSA-N
Molecular Formula	C11H13N

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(R)-(-)-Carvone, 98%

CAS: 6485-40-1 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001578 InChI Key: ULDHMXUKGWMISQ-SECBINFHSA-N Synonym: --carvone,l-carvone,r---carvone,l--carvone,r-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,4r-carvone,levo-carvone,--p-mentha-6,8-dien-2-one,--r-carvone PubChem CID: 439570 ChEBI: CHEBI:15400 SMILES: CC(=C)[C@@H]1CC=C(C)C(=O)C1

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Specifications

PubChem CID	439570
CAS	6485-40-1
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:15400
MDL Number	MFCD00001578
SMILES	CC(=C)[C@@H]1CC=C(C)C(=O)C1
Synonym	--carvone,l-carvone,r---carvone,l--carvone,r-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,4r-carvone,levo-carvone,--p-mentha-6,8-dien-2-one,--r-carvone
InChI Key	ULDHMXUKGWMISQ-SECBINFHSA-N
Molecular Formula	C10H14O

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