input word = C00038259

Metabolite InformationStructural formula
Name 3'-mono-O-methylellagic acid 4-O-alpha-L-rhamnopyranoside
Formula C21H18O12
Mw 462.07982604
CAS RN 51768-39-9
C_ID C00038259 ,
InChIKey IAYGIELPGJHKME-CCJQHXNQNA-N
InChICode InChI=1S/C21H18O12/c1-5-12(23)14(25)15(26)21(30-5)31-9-4-7-10-11-6(19(27)32-17(10)13(9)24)3-8(22)16(29-2)18(11)33-20(7)28/h3-5,12,14-15,21-26H,1-2H3/t5-,12-,14+,15+,21-/m0/s1
SMILES c1(=O)c2c3c4c(o1)c(c(cc4c(=O)oc3c(c(c2)O)OC)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acutissima Ref.
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