input word = C00013972

Metabolite InformationStructural formula
Name Myricetin 3-(6''-p-coumaroylglucoside)
Formula C30H26O15
Mw 626.12717016
CAS RN
C_ID C00013972 ,
InChIKey YXYCRKXYUVVKEF-BKYRIKDJNA-N
InChICode InChI=1S/C30H26O15/c31-14-4-1-12(2-5-14)3-6-21(36)42-11-20-24(38)26(40)27(41)30(44-20)45-29-25(39)22-16(33)9-15(32)10-19(22)43-28(29)13-7-17(34)23(37)18(35)8-13/h1-10,20,24,26-27,30-35,37-38,40-41H,11H2/b6-3+/t20-,24-,26+,27-,30+/m1/s1
SMILES c1c(cc(c(c1O)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea lotus Ref.
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