input word = C00012645

Metabolite InformationStructural formula
Name Isotrichodermin
Formula C17H24O4
Mw 292.16745925
CAS RN 91423-90-4
C_ID C00012645 ,
InChIKey OZXJPPYWZVBMGW-XWAUYUTRNA-N
InChICode InChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14?,15+,16+,17+/m1/s1
SMILES CC(=O)O[C@@H]1CC2(C)C3(CO3)[C@@H]1O[C@@H]1C=C(C)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium culmorum Ref.
FungiNectriaceaeFusarium roseum Ref.
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