input word = C00005404

Metabolite InformationStructural formula
Name Quercetin 3-vicianoside
Formula C26H28O16
Mw 596.13773485
CAS RN 23284-18-6
C_ID C00005404 ,
InChIKey YNMFDPCLPIMRFD-WVUQAUGGNA-N
InChICode InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17+,18+,20-,21+,22-,25+,26-/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[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeJuniperus spp. Ref.
PlantaeMenyanthaceaeNymphoides peltatum Ref.
PlantaePodocarpaceaeDacrydium colensoi Ref.
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