input word = C00012662

Metabolite InformationStructural formula
Name Trichoverrin A
[4beta(2Z,4E,6S,7S),15(E)]-4-(6,7-Dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate) 12,13-epoxy-trichothec-9-ene-4,15-diol
Formula C29H40O9
Mw 532.26723288
CAS RN 76739-70-3
C_ID C00012662 ,
InChIKey SYKUAMFXVHJZSH-VQHWAHFCNA-N
InChICode InChI=1S/C29H40O9/c1-18-9-11-28(16-35-26(34)14-19(2)10-12-30)23(13-18)37-24-15-22(27(28,4)29(24)17-36-29)38-25(33)8-6-5-7-21(32)20(3)31/h5-8,13-14,20-24,30-32H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22+,23+,24?,27-,28+,29+/m0/s1
SMILES CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=CC=C[C@H](O)[C@H](C)O)C(C)(C34CO4)[C@@]2(COC(=O)/C=C(C)CCO)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium verrucaria Ref.
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OrganismMyrothecium verrucaria
ReferenceJarvis,J.Org.Chem.,47,(1982),1117