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alpha-Doradexanthin/ (3S,3'S,6'R)-4-Ketolutein

PropertiesImage
MNX_IDMNXM41280 Image of MNXM41280
referencechebi:187846
formulaC40H54O3
global charge0
mol weight582.869
InChIKeyJKMGDISLOMKFOX-CHRGBVLDSA-N
InChIInChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35+,37+/m1/s1
SMILESCC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C
MNX internals
InChI (mnx)InChI=1/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35+,37+/m1/s1 Image of MNXM41280
SMILES (mnx)[CH3:1][C:28](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:29]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:31]([CH3:4])\[CH:22]=[CH:24]\[C:36]1=[C:33]([CH3:6])[C:38](=[O:43])[C@@H:37]([OH:42])[CH2:27][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:30]([CH3:3])/[CH:21]=[CH:23]/[C@H:35]1[C:32]([CH3:5])=[CH:25][C@@H:34]([OH:41])[CH2:26][C:39]1([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:187846
chebi:187846
JKMGDISLOMKFOX-CHRGBVLDSA-N 		alpha-Doradexanthin/ (3S,3'S,6'R)-4-Ketolutein
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one

lipidmaps:LMPR01070028
lipidmapsM:LMPR01070028
JKMGDISLOMKFOX-CHRGBVLDSA-N 		alpha-Doradexanthin
(3S,3'S,6'R)-3,3'-Dihydroxy-beta,epsilon-caroten-4-one
(3S,3'S,6'R)-4-Ketolutein
(3S,3'S,6'R)-alpha-Doradexanthin