input word = C00010235

Metabolite InformationStructural formula
Name 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
Formula C22H22O11
Mw 462.11621155
CAS RN 116310-58-8
C_ID C00010235 ,
InChIKey JZBHUVGJBWDUSA-RSBVYOOMNA-N
InChICode InChI=1S/C22H22O11/c1-30-10-5-14-18(11(7-17(26)31-14)9-2-3-12(24)13(25)4-9)15(6-10)32-22-21(29)20(28)19(27)16(8-23)33-22/h2-7,16,19-25,27-29H,8H2,1H3/t16-,19+,20-,21+,22+/m0/s1
SMILES c1(cc2c(c(cc(=O)o2)c2ccc(c(c2)O)O)c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoutarea hexandra Ref.
PlantaeRubiaceaeExostema caribaeum Ref.
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