input word = C00013975

Metabolite InformationStructural formula
Name Myricetin 3-(2'',3''-digalloylrhamnoside)
3-[[6-Deoxy-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C35H28O20
Mw 768.11739334
CAS RN 272128-15-1
C_ID C00013975 ,
InChIKey LVXYMZGTAWDELZ-WSMIUDFNNA-N
InChICode InChI=1S/C35H28O20/c1-10-24(44)30(53-33(49)12-4-18(40)26(46)19(41)5-12)32(54-34(50)13-6-20(42)27(47)21(43)7-13)35(51-10)55-31-28(48)23-15(37)8-14(36)9-22(23)52-29(31)11-2-16(38)25(45)17(39)3-11/h2-10,24,30,32,35-47H,1H3/t10-,24+,30-,32+,35+/m1/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)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia confusa Ref.
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