input word = C00013864

Metabolite InformationStructural formula
Name Quercetin 3-(2''-acetylrhamnoside)
Quercitryl-2'' acetate
3-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C23H22O12
Mw 490.11112617
CAS RN 61891-39-2
C_ID C00013864 ,
InChIKey QYSPPPJDISHVRH-BWOZANNWNA-N
InChICode InChI=1S/C23H22O12/c1-8-17(29)19(31)22(33-9(2)24)23(32-8)35-21-18(30)16-14(28)6-11(25)7-15(16)34-20(21)10-3-4-12(26)13(27)5-10/h3-8,17,19,22-23,25-29,31H,1-2H3/t8-,17-,19+,22-,23-/m0/s1
SMILES CC(=O)O[C@H]1C(O)[C@@H](O)C(C)O[C@H]1Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea caerulea Ref.
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