input word = C00005987

Metabolite InformationStructural formula
Name Quercetin 3-(6''-feruloylsophorotrioside)
Quercetin 3-(6''''-ferulylsophorotrioside)
Formula C43H48O25
Mw 964.24846709
CAS RN 167638-66-6
C_ID C00005987 ,
InChIKey AZGSHRDQKXNYSL-RCDRLTEXNA-N
InChICode InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)61-14-26-31(54)33(56)36(59)41(65-26)67-39-34(57)29(52)25(13-45)64-43(39)68-40-35(58)30(53)24(12-44)63-42(40)66-38-32(55)28-21(50)10-17(46)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+/t24-,25+,26-,29+,30+,31+,33-,34+,35-,36+,39-,40+,41-,42-,43-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)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)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum Ref.
PlantaeFabaceaePisum spp. Ref.
--Pisum Ref.
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