input word = C00010153

Metabolite InformationStructural formula
Name 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside
Formula C31H38O15
Mw 650.22107055
CAS RN 87611-94-7
C_ID C00010153 ,
InChIKey HBIBVIWVUMZFQY-PEXNEGSJNA-N
InChICode InChI=1S/C31H38O15/c1-12-17(40-4)9-19(21-23(34)15(11-42-28(12)21)14-6-7-16(39-3)18(8-14)41-5)44-31-29(26(37)24(35)20(10-32)45-31)46-30-27(38)25(36)22(33)13(2)43-30/h6-9,11,13,20,22,24-27,29-33,35-38H,10H2,1-5H3/t13-,20+,22-,24-,25-,26-,27-,29+,30-,31+/m0/s1
SMILES c1(c(c2c(c(=O)c(co2)c2ccc(c(c2)OC)OC)c(c1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDolichos biflorus Ref.
PlantaeFabaceaeVigna unguiculata Ref.
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