input word = C00010247

Metabolite InformationStructural formula
Name 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Formula C24H24O12
Mw 504.12677623
CAS RN 117783-71-8
C_ID C00010247 ,
InChIKey IHKNBCYHNGYRCB-BKQDUZFHNA-N
InChICode InChI=1S/C24H24O12/c1-10(25)33-9-18-21(29)22(30)23(31)24(36-18)35-17-7-12(32-2)6-16-20(17)13(8-19(28)34-16)11-3-4-14(26)15(27)5-11/h3-8,18,21-24,26-27,29-31H,9H2,1-2H3/t18-,21-,22-,23-,24+/m0/s1
SMILES COc1cc(O[C@@H]2OC(COC(C)=O)[C@H](O)[C@H](O)C2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeExostema caribaeum Ref.
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