input word = C00011523

Metabolite InformationStructural formula
Name [1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Formula C13H22O4
Mw 242.15180919
CAS RN 125564-60-5
C_ID C00011523 ,
InChIKey UFPKZILMQXMOKJ-UKBNTBBRNA-N
InChICode InChI=1S/C13H22O4/c1-9(4-5-12(15)17-3)10-6-7-13(2,16)11(10)8-14/h10-11,14,16H,1,4-8H2,2-3H3/t10-,11-,13+/m0/s1
SMILES C1C[C@H]([C@@H]([C@@]1(O)C)CO)C(=C)CCC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeEpichloe typhina Ref.
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