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Hydroxysintaxanthin 5,6-epoxide

PropertiesImage
MNX_IDMNXM126644 Image of MNXM126644
referencechebi:192908
formulaC31H42O3
global charge0
mol weight462.674
InChIKeyHPOMATRGLHSHPK-MBEKKZSISA-N
InChIInChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-31-29(6,7)21-28(33)22-30(31,8)34-31/h9-20,28,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+
SMILESCC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/C12OC1(C)CC(O)CC2(C)C
MNX internals
InChI (mnx)InChI=1/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-31-29(6,7)21-28(33)22-30(31,8)34-31/h9-20,28,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+/t28?,30?,31? Image of MNXM126644
SMILES (mnx)[CH3:1][C:23](=[CH:13]\[CH:9]=[CH:10]/[CH:14]=[C:24]([CH3:2])/[CH:17]=[CH:12]/[CH:18]=[C:26](\[CH3:4])[C:27]([CH3:5])=[O:32])/[CH:15]=[CH:11]/[CH:16]=[C:25]([CH3:3])\[CH:19]=[CH:20]\[C:31]12[C:29]([CH3:6])([CH3:7])[CH2:21][CH:28]([OH:33])[CH2:22][C:30]1([CH3:8])[O:34]2
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:192908
chebi:192908
HPOMATRGLHSHPK-MBEKKZSISA-N
Hydroxysintaxanthin 5,6-epoxide
(3E,5E,7E,9Z,11E,13E,15Z,17E)-18-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
hmdb:HMDB0039086
HPOMATRGLHSHPK-MBEKKZSISA-N
Hydroxysintaxanthin 5,6-epoxide
(3E,5E,7E,9Z,11E,13E,15Z,17E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
5,6-Epoxy-3-hydroxy-5,6,7',8'-tetrahydro-7'-apo-b-caroten-8'-one

hmdb:HMDB39086
secondary/obsolete/fantasy identifier