input word = C00053376

Metabolite InformationStructural formula
Name Isorhamnetin 3-O-xyloside
Formula C21H20O11
Mw 448.10056148
CAS RN 6743-93-7
C_ID C00053376
InChIKey AIDCMCULKOAYOW-HVQFUZGHSA-N
InChICode InChI=1S/C21H20O11/c1-29-13-4-8(2-3-10(13)23)19-20(32-21-18(28)16(26)12(25)7-30-21)17(27)15-11(24)5-9(22)6-14(15)31-19/h2-6,12,16,18,21-26,28H,7H2,1H3/t12-,16+,18-,21+/m1/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea caerulea Ref.
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OrganismNymphaea caerulea
ReferenceYin, D-D. et al., Food Chem., 187, (2015), 20-28.