input word = C00014340

Metabolite InformationStructural formula
Name (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Formula C28H26O15
Mw 602.12717016
CAS RN 467437-60-1
C_ID C00014340 ,
InChIKey SHPCBRSOJXQRDY-SJEVFKJONA-N
InChICode InChI=1S/C28H26O15/c29-13-2-1-10(3-14(13)30)19-8-16(32)22-15(31)6-12(7-20(22)42-19)41-28-26(38)25(37)24(36)21(43-28)9-40-27(39)11-4-17(33)23(35)18(34)5-11/h1-7,19,21,24-26,28-31,33-38H,8-9H2/t19-,21+,24+,25-,26-,28+/m0/s1
SMILES c1(cc2c(c(c1)O)C(=O)C[C@H](O2)c1cc(c(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismPhyllanthus emblica
ReferenceZhang,Chem.Pharm.Bull.,50,(2002),841