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Monoterpenoids
Description:
Compounds containing a chain of two isoprene units.
Ancestors:
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(1,4-Cyclohexanediylidene)-dimalononitrileCas Number: 1518-15-6 Compound CID: 73696Formula: C12H8N4 Molecular Weight: 208.22IUPAC Name: 2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrileSMILES: C1CC(=C(C#N)C#N)CCC1=C(C#N)C#NInChIKey: NXQNMVFWIRBUHX-UHFFFAOYSA-NInChI: InChI=1S/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H2
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(1R,5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-oneFormula: C10H14O Molecular Weight: 150.22IUPAC Name: (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-oneSMILES: CC1=CC(=O)C2CC1C2(C)CInChIKey: DCSCXTJOXBUFGB-SFYZADRCSA-NInChI: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
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(1S)-(+)-Neomenthyl acetateCas Number: 2552-91-2Formula: C12H22O2 Molecular Weight: 198.3IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetateSMILES: CC1CCC(C(C1)OC(=O)C)C(C)CInChIKey: XHXUANMFYXWVNG-USWWRNFRSA-NInChI: InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1
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(+)-IsomenthoneCas Number: 1196-31-2Formula: C10H18O Molecular Weight: 154.25IUPAC Name: (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-oneSMILES: CC1CCC(C(=O)C1)C(C)CInChIKey: NFLGAXVYCFJBMK-RKDXNWHRSA-NInChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
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β-PineneCas Number: 18172-67-3 EC Number: 242-060-2Formula: C10H16 Molecular Weight: 136.23IUPAC Name: (1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptaneSMILES: CC1(C2CCC(=C)C1C2)CInChIKey: WTARULDDTDQWMU-IUCAKERBSA-NInChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1Synonyms: (1S,5S)-2(10)-Pinene | (1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane | (1S)-(-)-beta-Pinene
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1-(Chloromethyl)-4-isopropylbenzeneCas Number: 2051-18-5Formula: C10H13Cl Molecular Weight: 168.66IUPAC Name: 1-(chloromethyl)-4-propan-2-ylbenzeneSMILES: CC(C)C1=CC=C(C=C1)CClInChIKey: CYAKWEQUWJAHLW-UHFFFAOYSA-NInChI: InChI=1S/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3Synonyms: 7-Chloro-p-cymene
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bicyclo[2.2.1]heptan-1-olCas Number: 51566-98-4 Compound CID: 524266IUPAC Name: bicyclo[2.2.1]heptan-1-olSMILES: C1CC2(CCC1C2)OInChIKey: NIZFPIBTGJOVRT-UHFFFAOYSA-NInChI: InChI=1S/C7H12O/c8-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2
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Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dimethanol[8-(hydroxymethyl)cuban-1-yl]methanolCas Number: 60462-27-3 Compound CID: 369183Formula: C10H12O2 Molecular Weight: 164.2IUPAC Name: [4-(hydroxymethyl)cuban-1-yl]methanolSMILES: C(C12C3C4C1C5C2C3C45CO)OInChIKey: AWRJQAGOUMAUGW-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2/c11-1-9-3-6-4(9)8-5(9)7(3)10(6,8)2-12/h3-8,11-12H,1-2H2
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4-(fluoromethyl)norbornane-1-carboxylic acidCas Number: 1350821-85-0 Compound CID: 83854309Formula: C9H13FO2 Molecular Weight: 172.2SMILES: C1CC2(CCC1(C2)CF)C(=O)OInChIKey: ZLWBFLQHSMDVBF-UHFFFAOYSA-NInChI: InChI=1S/C9H13FO2/c10-6-8-1-3-9(5-8,4-2-8)7(11)12/h1-6H2,(H,11,12)
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4-aminocubane-1-carboxylic acid;hydrochlorideCas Number: 60462-23-9 Compound CID: 43810882Formula: C9H10ClNO2 Molecular Weight: 199.63IUPAC Name: 4-aminocubane-1-carboxylic acid;hydrochlorideSMILES: C12C3C4C1(C5C2C3(C45)N)C(=O)O.ClInChIKey: ZVSHIUIYOQMWFJ-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO2.ClH/c10-9-4-1-5(9)3-6(9)2(4)8(1,3)7(11)12;/h1-6H,10H2,(H,11,12);1H
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(1S,2R,3S,4R)-3-(tert-butoxycarbonylamino)norbornane-2-carboxylic acidCas Number: 1455431-93-2 Compound CID: 39345393Formula: C13H21NO4 Molecular Weight: 255.31SMILES: CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OInChIKey: BWIMUIWFDXMFLE-JLIMGVALSA-NInChI: InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h7-10H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9+,10-/m0/s1
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rel-(1S,2R,3S,4R)-3-(tert-butoxycarbonylamino)norbornane-2-carboxylic acidCas Number: 1212373-01-7Formula: C13H21NO4 Molecular Weight: 255.31IUPAC Name: (1S,2R,3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acidSMILES: CC(C)(C)OC(=O)NC1C2CCC(C2)C1C(=O)OInChIKey: BWIMUIWFDXMFLE-JLIMGVALSA-NInChI: InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h7-10H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9+,10-/m0/s1







