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Centaurein

PropertiesImage
MNX_IDMNXM46055 Image of MNXM46055
referencelipidmapsM:LMPK12112933
formulaC24H26O13
global charge0
mol weight522.459
InChIKeyGGMCFLXPZMBJMV-NPVWYNPDSA-N
InChIInChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1
SMILESCOC1=C(O)C=C(C2=C(OC)C(=O)C3=C(C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(OC)=C3O)O2)C=C1
MNX internals
InChI (mnx)InChI=1/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1 Image of MNXM46055
SMILES (mnx)[CH3:1][O:32][C:11]1=[C:10]([OH:26])[CH:6]=[C:9]([C:21]2=[C:23]([O:34][CH3:3])[C:18](=[O:29])[C:15]3=[C:17]([OH:28])[C:22]([O:33][CH3:2])=[C:13]([O:36][C@H:24]4[C@H:20]([OH:31])[C@@H:19]([OH:30])[C@H:16]([OH:27])[C@@H:14]([CH2:8][OH:25])[O:37]4)[CH:7]=[C:12]3[O:35]2)[CH:4]=[CH:5]1
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

lipidmaps:LMPK12112933
lipidmapsM:LMPK12112933
GGMCFLXPZMBJMV-NPVWYNPDSA-N 		Centaurein