Summary
SMILES: C/C(=CC=CC=C(C=CC=C(C1C=C2C(O1)(C)CCCC2(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)CInChI: InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+InChIKey: GFPJSSAOISEBQL-FZKBJVJCSA-N
DeepSMILES: C/C=CC=CC=CC=CC=CCC=CCO5)C)CCCC6C)C)))))))))/C)))))/C))))))/C=C/C=C/C=C/C=CC)CCCC6C)C)))))))))C
Scaffold Graph/Node/Bond level: C(C=CC=CC=CC=CC1C=C2CCCCC2O1)=CC=CC=CC=CC1=CCCCC1
Scaffold Graph/Node level: C(CCCCCCCCC1CC2CCCCC2O1)CCCCCCCC1CCCCC1
Scaffold Graph level: C(CCCCCCCCC1CC2CCCCC2C1)CCCCCCCC1CCCCC1
Functional groups: CC(C)=C(C)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)C; CC=C(C)C; COC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Tetraterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Carotenoids (C40)
NP Classifier Class: Carotenoids (C40, β-β)
Synonymous chemical names:mutatochrome, mutatochrome (5,8-epoxy-5,8-dihydro-β,β-carotene)
External chemical identifiers:CID:5281246; ChEBI:7037; FDASRS:MO0US97U17; SureChEMBL:SCHEMBL39732
Chemical structure download