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 O=C(OCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)CC3=O)C(O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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