input word = C00016151

Metabolite InformationStructural formula
Name Pestheic acid
RES 1214-2
Formula C17H15ClO8
Mw 382.04554517
CAS RN 165905-02-2
C_ID C00016151 ,
InChIKey CAXGJVQIPWBEJY-UHFFFAOYSA-N
InChICode InChI=1S/C17H15ClO8/c1-7-4-9(19)12(16(21)22)10(5-7)26-15-8(17(23)25-3)6-11(24-2)13(18)14(15)20/h4-6,19-20H,1-3H3,(H,21,22)
SMILES COC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiAmphisphaeriaceaePestalotiopsis sp. RE-1214 Ref.
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