input word = C00061189

Metabolite InformationStructural formula
Name Phyllaemblic acid methyl ester
Formula C22H26O9
Mw 434.15768243
CAS RN 270597-09-6
C_ID C00061189
InChIKey WOAOYJSNCNMIET-OPYGUJPJSA-N
InChICode InChI=1S/C22H26O9/c1-12-11-29-21(10-15(12)30-19(25)13-6-4-3-5-7-13)20(26)22(27)16(23)8-14(18(24)28-2)9-17(22)31-21/h3-7,12,14-17,23,27H,8-11H2,1-2H3/t12-,14+,15+,16+,17-,21+,22-/m1/s1
SMILES COC(=O)C1CC(O)C2(O)C(=O)C3(CC(OC(=O)c4ccccc4)C(C)CO3)OC2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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