input word = C00014499

Metabolite InformationStructural formula
Name 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl)glucoside
Formula C30H28O12
Mw 580.15807636
CAS RN 597550-50-0
C_ID C00014499 ,
InChIKey XKPBAPHWYIKWSN-PLTRXDTNNA-N
InChICode InChI=1S/C30H28O12/c31-15-23-27(38)28(39)29(42-24(35)14-6-17-3-9-19(33)10-4-17)30(41-23)40-22-13-11-20(25(36)26(22)37)21(34)12-5-16-1-7-18(32)8-2-16/h1-14,23,27-33,36-39H,15H2/b12-5+,14-6+/t23-,27+,28+,29-,30-/m1/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1ccc(cc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMaclura tinctoria Ref.
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OrganismMaclura tinctoria
ReferenceCioffi,J.Nat.Prod.,66,(2003),1061