input word = C00013973

Metabolite InformationStructural formula
Name Myricetin 3-(2''-acetylrhamnoside)
3-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C23H22O13
Mw 506.10604079
CAS RN 244284-60-4
C_ID C00013973 ,
InChIKey HOTRKBCNUPCEGJ-CHGKIDLWNA-N
InChICode InChI=1S/C23H22O13/c1-7-16(29)19(32)22(34-8(2)24)23(33-7)36-21-18(31)15-11(26)5-10(25)6-14(15)35-20(21)9-3-12(27)17(30)13(28)4-9/h3-7,16,19,22-23,25-30,32H,1-2H3/t7-,16-,19+,22-,23-/m0/s1
SMILES CC(=O)O[C@H]1C(O)[C@@H](O)C(C)O[C@H]1Oc1c(-c2cc(O)c(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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OrganismNymphaea caerulea
ReferenceFossen,Phytochem.,51,(1999),1133