input word = C00046851

Metabolite InformationStructural formula
Name Phyllaemblic acid
(+)-Phyllaemblic acid
Formula C21H24O9
Mw 420.14203237
CAS RN 270902-82-4
C_ID C00046851 ,
InChIKey XUYMFMZUGFKHAN-ADZIMLBPNA-N
InChICode InChI=1S/C21H24O9/c1-11-10-28-20(9-14(11)29-18(25)12-5-3-2-4-6-12)19(26)21(27)15(22)7-13(17(23)24)8-16(21)30-20/h2-6,11,13-16,22,27H,7-10H2,1H3,(H,23,24)/t11-,13+,14+,15+,16-,20+,21-/m1/s1
SMILES [C@@H]1(C[C@@H]([C@]2([C@@H](C1)O[C@]1(C2=O)C[C@@H]([C@@H](CO1)C)OC(=O)c1ccccc1)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismPhyllanthus emblica
ReferenceZhang,J.Nat.Prod.,63,(2000),1507