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Monoterpenoids
Description:
Compounds containing a chain of two isoprene units.
Ancestors:
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N-Propionyl-(2S)-bornane-10,2-sultamCas Number: 128947-19-3 Compound CID: 11076543Formula: C13H21NO3S Molecular Weight: 271.38IUPAC Name: 1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]propan-1-oneSMILES: CCC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=OInChIKey: JEMOGQYNLSWGPL-KWBADKCTSA-NInChI: InChI=1S/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10-,13-/m0/s1
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N-Propionyl-(2R)-bornane-10,2-sultamCas Number: 125664-95-1 Compound CID: 11000169Formula: C13H21NO3S Molecular Weight: 271.38IUPAC Name: 1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]propan-1-oneSMILES: CCC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=OInChIKey: JEMOGQYNLSWGPL-GIPNMCIBSA-NInChI: InChI=1S/C13H21NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h9-10H,4-8H2,1-3H3/t9-,10-,13-/m1/s1
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Methyl 3-bromo-4-isopropylbenzoateCas Number: 318528-55-1 Compound CID: 21956831Formula: C11H13BrO2 Molecular Weight: 257.127IUPAC Name: methyl 3-bromo-4-propan-2-ylbenzoateSMILES: CC(C)C1=C(C=C(C=C1)C(=O)OC)BrInChIKey: KVBRRJZVELPSOL-UHFFFAOYSA-NInChI: InChI=1S/C11H13BrO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-7H,1-3H3
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IsolongifoloneCas Number: 23787-90-8 EC Number: 249-649-3IUPAC Name: 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-oneSMILES: CC1(CCC(=O)C2C13CCC(C3)C2(C)C)CInChIKey: VCOCESNMLNDPLX-UHFFFAOYSA-NInChI: InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3
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IsolongifoloneCas Number: 23787-90-8 EC Number: 249-649-3IUPAC Name: 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-oneSMILES: CC1(CCC(=O)C2C13CCC(C3)C2(C)C)CInChIKey: VCOCESNMLNDPLX-UHFFFAOYSA-NInChI: InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3
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Cubane-1-carboxylic acidCas Number: 53578-15-7 Compound CID: 10997192Formula: C9H8O2 Molecular Weight: 148.16IUPAC Name: cubane-1-carboxylic acidSMILES: C12C3C4C1C5C2C3C45C(=O)OInChIKey: NVBIDTXRBMYRGD-UHFFFAOYSA-NInChI: InChI=1S/C9H8O2/c10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9/h1-7H,(H,10,11)
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CitronellylnitrileFormula: C10H17N Molecular Weight: 151.25IUPAC Name: 3,7-dimethyloct-6-enenitrileSMILES: CC(CCC=C(C)C)CC#NInChIKey: MTDAKBBUYMYKAR-UHFFFAOYSA-NInChI: InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3
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4-Isopropyl-1-methylcyclohexanolCas Number: 21129-27-1 Compound CID: 89437Formula: C10H20O Molecular Weight: 156.26IUPAC Name: 1-methyl-4-propan-2-ylcyclohexan-1-olSMILES: CC(C)C1CCC(CC1)(C)OInChIKey: CMLYGGFIXXLYQT-UHFFFAOYSA-NInChI: InChI=1S/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3
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(+)-endo-2-AminonorbornaneCas Number: 121055-07-0Formula: C7H13N Molecular Weight: 111.18IUPAC Name: (1R,2S,4S)-bicyclo[2.2.1]heptan-2-amineSMILES: C1CC2CC1CC2NInChIKey: JEPPYVOSGKWVSJ-XVMARJQXSA-NInChI: InChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/t5-,6+,7-/m0/s1
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(+)-β-PineneCas Number: 19902-08-0 EC Number: 628-845-6Formula:IUPAC Name: (1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptaneSMILES: CC1(C2CCC(=C)C1C2)CInChIKey: WTARULDDTDQWMU-RKDXNWHRSA-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-/m1/s1
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2-Amino-2-(4-isopropylphenyl)acetic acidCas Number: 126746-20-1 Compound CID: 3768058Formula: C11H15NO2 Molecular Weight: 193.25IUPAC Name: 2-amino-2-(4-propan-2-ylphenyl)acetic acidSMILES: CC(C)C1=CC=C(C=C1)C(C(=O)O)NInChIKey: UTHDNBNSZXJSDC-UHFFFAOYSA-NInChI: InChI=1S/C11H15NO2/c1-7(2)8-3-5-9(6-4-8)10(12)11(13)14/h3-7,10H,12H2,1-2H3,(H,13,14)
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2-((((1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl)oxy)carbonyl)benzoic acidCas Number: 53623-42-0 Compound CID: 10953367Formula: C18H24O4 Molecular Weight: 304.38IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acidSMILES: CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)CInChIKey: LJFJPDHXAWVDSA-ZENOOKHLSA-NInChI: InChI=1S/C18H24O4/c1-11(2)13-9-8-12(3)10-16(13)22-18(21)15-7-5-4-6-14(15)17(19)20/h4-7,11-13,16H,8-10H2,1-3H3,(H,19,20)/t12-,13+,16-/m0/s1
