input word = C00005446

Metabolite InformationStructural formula
Name Quercetin 3-sophorotrioside
Formula C33H40O22
Mw 788.20112297
CAS RN 38681-85-5
C_ID C00005446 ,
InChIKey IQBMWEYFKNVACH-VVRPSMJMNA-N
InChICode InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16+,17+,19-,20-,21-,23-,24-,25+,26-,29-,30-,31+,32+,33+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum Ref.
PlantaeMalvaceaeHibiscus rosasinensis Ref.
PlantaePinaceaePinus sativum Ref.
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