input word = C00012647

Metabolite InformationStructural formula
Name [4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate
Formula C19H26O4
Mw 318.18310932
CAS RN 117831-27-3
C_ID C00012647 ,
InChIKey RBFUHBMJPDGPAT-DWSRZHNXNA-N
InChICode InChI=1S/C19H26O4/c1-5-6-16(20)23-14-10-15-19(11-21-19)18(14,4)17(3)8-7-12(2)9-13(17)22-15/h5-6,9,13-15H,7-8,10-11H2,1-4H3/b6-5-/t13-,14-,15?,17+,18+,19-/m1/s1
SMILES C1[C@]2([C@@H](C=C(C1)C)O[C@H]1[C@]3([C@]2([C@@H](C1)OC(=O)/C=C\C)C)OC3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisTrichothecium roseum Ref.
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