input word = C00014339

Metabolite InformationStructural formula
Name (2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside)
Formula C30H28O13
Mw 596.15299098
CAS RN 522623-06-9
C_ID C00014339 ,
InChIKey BPWQQRVJKWQVQP-OOEWIFMENA-N
InChICode InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)42-22-9-15(4-7-18(22)33)21-12-20(35)26-19(34)10-17(32)11-23(26)41-21/h1-11,21,24,27-34,37-39H,12-13H2/b8-3+/t21-,24+,27+,28-,29-,30+/m0/s1
SMILES c1(cc2c(c(c1)O)C(=O)C[C@H](O2)c1cc(c(cc1)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeMalus x domestica Ref.
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