input word = C00013855

Metabolite InformationStructural formula
Name Quercetin 3-rutinoside-3'-apioside
Plantaovaside
2-[3-(D-Apio-beta-D-furanosyloxy)-4-hydroxyphenyl]-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C32H38O20
Mw 742.19564366
CAS RN 420825-83-8
C_ID C00013855 ,
InChIKey BXTILNZWGBBYCX-LVUIGQASNA-N
InChICode InChI=1S/C32H38O20/c1-10-19(37)22(40)24(42)29(48-10)46-7-17-20(38)23(41)25(43)30(51-17)52-27-21(39)18-14(36)5-12(34)6-16(18)49-26(27)11-2-3-13(35)15(4-11)50-31-28(44)32(45,8-33)9-47-31/h2-6,10,17,19-20,22-25,28-31,33-38,40-45H,7-9H2,1H3/t10-,17+,19-,20-,22+,23-,24-,25+,28+,29+,30-,31-,32+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O[C@@H]5OCC(O)(CO)[C@@H]5O)c4)oc4cc(O)cc(O)c4c3=O)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePlantago ovata Ref.
PlantaePlantaginaceaePlantago psyllium Ref.
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OrganismPlantago ovata
ReferenceNishibe,Nat.Med.(Tokyo),55,(2001),258