input word = C00011157

Metabolite InformationStructural formula
Name Myricetin 3-O-(4''-O-acetyl-2''-O-galloyl)-alpha-L-rhamnopyranoside
3-[[4-O-Acetyl-6-deoxy-2-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C30H26O17
Mw 658.11699941
CAS RN 402954-90-9
C_ID C00011157 ,
InChIKey PYGGSPJDJQBCNV-MIUQYWOTNA-N
InChICode InChI=1S/C30H26O17/c1-9-25(44-10(2)31)24(41)28(46-29(42)12-5-17(36)22(39)18(37)6-12)30(43-9)47-27-23(40)20-14(33)7-13(32)8-19(20)45-26(27)11-3-15(34)21(38)16(35)4-11/h3-9,24-25,28,30,32-39,41H,1-2H3/t9-,24+,25-,28-,30-/m0/s1
SMILES c1(c2c(cc(c1)O)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C)O)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEugenia jambolana Ref.
zoom in