input word = C00012641

Metabolite InformationStructural formula
Name (3alpha,4beta)-4,15-bis(Acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one
Formula C19H24O8
Mw 380.14711774
CAS RN 77620-47-4
C_ID C00012641 ,
InChIKey FAQMCKSIBZGZIB-YDLSCNOFNA-N
InChICode InChI=1S/C19H24O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,13-16,23H,6-8H2,1-4H3/t13-,14-,15-,16?,17+,18-,19-/m1/s1
SMILES C1[C@]2([C@@H](C=C(C1=O)C)O[C@H]1[C@]3([C@]2([C@@H]([C@H]1O)OC(=O)C)C)OC3)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium cerealis Ref.
FungiNectriaceaeFusarium sporotrichioides Ref.
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OrganismFusarium cerealis
ReferenceCorley,J.Org.Chem.,52,(1987),4405