input word = C00050038

Metabolite InformationStructural formula
Name Cochliobolic acid
Formula C25H30O6
Mw 426.20423869
CAS RN 185846-15-5
C_ID C00050038 ,
InChIKey UWFRQOWLUPERFN-UGSZLSFNNA-N
InChICode InChI=1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+/t19-,20-,23-,24-/m1/s1
SMILES CCC(C)/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]1C[C@@H](O)[C@H](C(=O)O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeCochliobolus lunatus Ref.
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