input word = C00013978

Metabolite InformationStructural formula
Name Myricetin 3-(3'''-6'''-diacetylglucosyl)-(1->4)-(2'',3''-diacetylrhamnoside)
Formula C35H38O21
Mw 794.19055828
CAS RN
C_ID C00013978 ,
InChIKey GZHXLFUJGJNXIY-MOTFYJKFNA-N
InChICode InChI=1S/C35H38O21/c1-11-28(55-34-27(47)30(50-13(3)37)25(45)22(54-34)10-48-12(2)36)32(51-14(4)38)33(52-15(5)39)35(49-11)56-31-26(46)23-18(41)8-17(40)9-21(23)53-29(31)16-6-19(42)24(44)20(43)7-16/h6-9,11,22,25,27-28,30,32-35,40-45,47H,10H2,1-5H3/t11-,22+,25+,27+,28-,30-,32+,33-,34-,35-/m0/s1
SMILES c1c(cc(c(c1O)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)OC(=O)C)O)OC(=O)C)OC(=O)C)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMaesaceaeMaesa lanceolata Ref.
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OrganismMaesa lanceolata
ReferenceManguro,Nat.Prod.Sci.,8,(2002),77