input word = C00019458

Metabolite InformationStructural formula
Name Pubescidin
5,7-Dihydroxy-6,4'-dimethoxyisoflavone 7-O-(2''-apiosylglucoside)
Formula C28H32O15
Mw 608.17412036
CAS RN 194149-95-6
C_ID C00019458 ,
InChIKey JEDPCSULMKYZAT-RUIFBMSFNA-N
InChICode InChI=1S/C28H32O15/c1-37-13-5-3-12(4-6-13)14-9-39-15-7-16(23(38-2)21(33)18(15)19(14)31)41-26-24(22(34)20(32)17(8-29)42-26)43-27-25(35)28(36,10-30)11-40-27/h3-7,9,17,20,22,24-27,29-30,32-36H,8,10-11H2,1-2H3/t17-,20+,22+,24-,25-,26-,27+,28+/m1/s1
SMILES O(c1cc2c(c(c1OC)O)c(=O)c(co2)c1ccc(cc1)OC)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@](O)(CO)CO1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCentrosema pubescens Ref.
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