input word = C00014507

Metabolite InformationStructural formula
Name 4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-O-(5'''-O-p-cinnamoyl)-apiofuranosyl-(1'''->2'')-glucoside
Formula C37H40O15
Mw 724.23672061
CAS RN 488760-67-4
C_ID C00014507 ,
InChIKey MIQMXMQBZKPBOW-WHOGMTIYNA-N
InChICode InChI=1S/C37H40O15/c1-46-24-16-26(40)30(27(17-24)47-2)25(39)14-10-22-8-12-23(13-9-22)50-35-33(32(43)31(42)28(18-38)51-35)52-36-34(44)37(45,20-49-36)19-48-29(41)15-11-21-6-4-3-5-7-21/h3-17,28,31-36,38,40,42-45H,18-20H2,1-2H3/b14-10+,15-11+/t28-,31+,32-,33+,34+,35+,36-,37+/m0/s1
SMILES c1(cc(c(c(c1)OC)C(=O)/C=C/c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@@](O)(COC(=O)/C=C/c2ccccc2)CO1)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSantalaceaeViscum album subsp. album Ref.
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OrganismViscum album subsp. album
ReferenceOrhan,Pharm.biol.,40,(2002),380