input word = C00013979

Metabolite InformationStructural formula
Name Myricetin 3-(2''-galloylrhamnoside)
3-[[6-Deoxy-2-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C29H26O16
Mw 630.12208479
CAS RN 272128-13-9
C_ID C00013979 ,
InChIKey SFIHNCQUDFDWQA-JUQWKBHLNA-N
InChICode InChI=1S/C29H26O16/c1-9-20(35)24(39)27(44-28(40)11-5-16(33)22(37)17(34)6-11)29(42-9)45-26-23(38)19-13(30)7-12(41-2)8-18(19)43-25(26)10-3-14(31)21(36)15(32)4-10/h3-9,20,24,27,29-37,39H,1-2H3/t9-,20-,24+,27-,29-/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)O)OC(=O)c1cc(c(c(c1)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia confusa Ref.
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