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Bicyclic monoterpenoids
Description:
Monoterpenoids containing exactly 2 rings, which are fused to each other.
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2-[3-(5-carbamimidoyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-5-{5-[(carbamoylamino)methyl]-2-hydroxyphenyl}-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acidIUPAC Name: show more
SMILES: NC(=O)NCc1ccc(c(c1)C1=CC(=C/C(=c/2\[nH]c3c([nH]2)ccc(c3)C(=N)N)/C1=O)C(C(=O)O)CC(=O)O)OInChIKey: VPCHMCAFZYYMSK-JJIBRWJFSA-NInChI: show more Synonyms: compound 1 -
15R-TICCas Number: 175169-68-3 Compound CID: 9821452IUPAC Name: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acidSMILES: OC(=O)CCCCC1=C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/[C@@H](Cc1cccc(c1)C)OInChIKey: WECZQLFTKNIXDD-RNJUVHPUSA-NInChI: show more
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(4aR,7R,8aS)-8,8-Dichloro-9,9-dimethyltetrahydro-4H-4a,7-methanobenzo[c][1,2]oxazireno[2,3-b]isothiazole 3,3-dioxideCas Number: 139628-16-3Formula: C10H13Cl2NO3S Molecular Weight: 298.19IUPAC Name: (1R,6S,8R)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane 3,3-dioxideSMILES: CC1(C2CCC13CS(=O)(=O)N4C3(C2(Cl)Cl)O4)CInChIKey: HAMBQYFZDBYWHU-VYBWYVTGSA-NInChI: InChI=1S/C10H13Cl2NO3S/c1-7(2)6-3-4-8(7)5-17(14,15)13-10(8,16-13)9(6,11)12/h6H,3-5H2,1-2H3/t6-,8-,10+,13?/m1/s1Synonyms: DTXSID00452762 | (4aR,7R,8aS)-8,8-Dichloro-9,9-dimethyltetrahydro-4H-4a,7-methanobenzo[c][1,2]oxazireno[2,3-b]isothia...
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(−)-cis-MyrtanylamineCas Number: 73522-42-6Formula: C10H19N Molecular Weight: 153.26IUPAC Name: [(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamineSMILES: CC1(C)[C@@]2([H])CC[C@](CN)([H])[C@@]1(C2)[H]InChIKey: SYJBFPCQIJQYNV-CIUDSAMLSA-NInChI: InChI=1S/C10H19N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9H,3-6,11H2,1-2H3/t7-,8-,9-/m0/s1Synonyms: ((1S,2R,5S)-6,6-Dimethylbicyclo(3.1.1)heptan-2-yl)methanamine | BICYCLO(3.1.1)HEPTANE-2-METHANAMINE, 6,6-DIMETHYL-, (...
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(+)-2-CareneCas Number: 4497-92-1Formula: C10H16 Molecular Weight: 136.23IUPAC Name: (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-eneSMILES: CC1=CC2C(C2(C)C)CC1InChIKey: IBVJWOMJGCHRRW-BDAKNGLRSA-NInChI: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1Synonyms: (+)-2-Carene, 97% | PINONENE | Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, (1S,6R)- | delta-4-carene | EINECS 224-792...
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1,4-CineoleCas Number: 470-67-7Formula: C10H18O Molecular Weight: 154.25IUPAC Name: 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptaneSMILES: CC(C)C12CCC(O1)(CC2)CInChIKey: RFFOTVCVTJUTAD-UHFFFAOYSA-NInChI: InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3Synonyms: 1,4-Cineole, analytical standard | BRN 0104974 | CCG-266250 | CHEBI:80788 | SCHEMBL231925 | F82275 | MFCD00209502 | (...
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Bornyl acetateCas Number: 76-49-3Formula: C12H20O2 Molecular Weight: 196.29IUPAC Name: [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetateSMILES: CC(=O)OC1CC2CCC1(C2(C)C)CInChIKey: KGEKLUUHTZCSIP-HOSYDEDBSA-NInChI: InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1Synonyms: (-)-Bornyl acetate|BORNYL ACETATE|L-bornyl acetate|5655-61-8|76-49-3|(-)-Borneol acetate|Levo-bornyl acetate|Bornyl a...
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(+)-B-MethoxydiisopinocampheylboraneCas Number: 99438-28-5Formula: C21H37BO Molecular Weight: 316.33IUPAC Name: methoxy-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)boraneSMILES: B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)OCInChIKey: IAQXEQYLQNNXJC-UHFFFAOYSA-NInChI: InChI=1S/C21H37BO/c1-12-16-8-14(20(16,3)4)10-18(12)22(23-7)19-11-15-9-17(13(19)2)21(15,5)6/h12-19H,8-11H2,1-7H3Synonyms: (+)-B-Methoxydiisopinocampheylborane | Methoxybis[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl]borane | AMY...
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7-Bromobicyclo[2.2.1]heptaneCas Number: 13237-88-2Formula: C7H11Br Molecular Weight: 175.07IUPAC Name: 7-bromobicyclo[2.2.1]heptaneSMILES: C1CC2CCC1C2BrInChIKey: WHGPQZJYJWIBGZ-UHFFFAOYSA-NInChI: InChI=1S/C7H11Br/c8-7-5-1-2-6(7)4-3-5/h5-7H,1-4H2Synonyms: J-006168 | SCHEMBL1067060 | 7-Bromobicyclo[2.2.1]heptane, technical, >=90% | DTXSID20340511 | 7-Bromobicyclo[2.2.1]he...
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(+)-(8,8-Dichlorocamphorylsulfonyl)oxaziridineCas Number: 127184-05-8Formula: C10H13Cl2NO3S Molecular Weight: 298.19IUPAC Name: (1S,6R,8S)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane 3,3-dioxideSMILES: CC1(C2CCC13CS(=O)(=O)N4C3(C2(Cl)Cl)O4)CInChIKey: HAMBQYFZDBYWHU-CNLAJYNUSA-NInChI: InChI=1S/C10H13Cl2NO3S/c1-7(2)6-3-4-8(7)5-17(14,15)13-10(8,16-13)9(6,11)12/h6H,3-5H2,1-2H3/t6-,8-,10+,13?/m0/s1Synonyms: (4aS,7S,8aR)-8,8-Dichloro-9,9-dimethyltetrahydro-4H-4a,7-methanobenzo[c][1,2]oxazireno[2,3-b]isothiazole 3,3-dioxide
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((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid hydrateCas Number: 98673-87-1 Compound CID: 12265361Formula: C10H18O5S Molecular Weight: 250.31IUPAC Name: [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;hydrateSMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.OInChIKey: GAQWDBUWBUOFLS-YZUKSGEXSA-NInChI: InChI=1S/C10H16O4S.H2O/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);1H2/t7-,10-;/m1./s1
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Bicyclo[2.2.1]heptane-2-carboxylic acidCas Number: 824-62-4 EC Number: 212-532-2, 621-576-5, 878-973-3Formula: C8H12O2 Molecular Weight: 140.18IUPAC Name: bicyclo[2.2.1]heptane-2-carboxylic acidSMILES: C1CC2CC1CC2C(=O)OInChIKey: JESWDXIHOJGWBP-UHFFFAOYSA-NInChI: InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)Synonyms: Bicyclo[2.2.1]heptane-2-carboxylic acid, endo- | AKOS016874856 | Z147433488 | (1R,2R,4S)-bicyclo[2.2.1]heptane-2-carb...
