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Biochanin A 7-O-apiosyl-(1->6)-glucoside

PropertiesImage
MNX_IDMNXM44314 Image of MNXM44314
referencelipidmapsM:LMPK12050223
formulaC27H30O14
global charge0
mol weight578.523
InChIKeyVGKGODYADVWBQB-NRIIMPDMSA-N
InChIInChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)15-8-37-17-7-14(6-16(29)19(17)20(15)30)40-25-23(33)22(32)21(31)18(41-25)9-38-26-24(34)27(35,10-28)11-39-26/h2-8,18,21-26,28-29,31-35H,9-11H2,1H3/t18-,21-,22+,23-,24+,25-,26-,27-/m1/s1
SMILESCOC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1
MNX internals
InChI (mnx)InChI=1/C27H30O14/c1-36-13-4-2-12(3-5-13)15-8-37-17-7-14(6-16(29)19(17)20(15)30)40-25-23(33)22(32)21(31)18(41-25)9-38-26-24(34)27(35,10-28)11-39-26/h2-8,18,21-26,28-29,31-35H,9-11H2,1H3/t18-,21-,22+,23-,24+,25-,26-,27-/m1/s1 Image of MNXM44314
SMILES (mnx)[CH3:1][O:36][C:13]1=[CH:5][CH:3]=[C:12]([C:15]2=[CH:8][O:37][C:17]3=[CH:7][C:14]([O:40][C@H:25]4[C@H:23]([OH:33])[C@@H:22]([OH:32])[C@H:21]([OH:31])[C@@H:18]([CH2:9][O:38][C@H:26]5[C@H:24]([OH:34])[C@:27]([CH2:10][OH:28])([OH:35])[CH2:11][O:39]5)[O:41]4)=[CH:6][C:16]([OH:29])=[C:19]3[C:20]2=[O:30])[CH:2]=[CH:4]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:LMPK12050223
lipidmapsM:LMPK12050223
VGKGODYADVWBQB-NRIIMPDMSA-N
Biochanin A 7-O-apiosyl-(1->6)-glucoside
7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Lanceolarin