input word = C00012665

Metabolite InformationStructural formula
Name Trichoverrol B
[4beta(2Z,4E,6S,7R)]-12,13-Epoxytrichothec-9-ene-4,15-diol 4-(6,7-dihydroxy-2,4-octadienoate)
Formula C23H32O7
Mw 420.21480338
CAS RN 76685-83-1
C_ID C00012665 ,
InChIKey QFKRKMXPKBHGGO-JANVEBJVNA-N
InChICode InChI=1S/C23H32O7/c1-14-8-9-22(12-24)18(10-14)29-19-11-17(21(22,3)23(19)13-28-23)30-20(27)7-5-4-6-16(26)15(2)25/h4-7,10,15-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t15-,16+,17-,18-,19?,21+,22-,23-/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\[C@H](O)[C@@H](C)O)C)OC3)CO
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