input word = C00012666

Metabolite InformationStructural formula
Name Trichoverrin B
[4beta(2Z,4E,6S,7R),15(E)]- 12,13-Epoxytrichothec-9-ene-4,15-diol 4-(6,7-dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate)
Formula C29H40O9
Mw 532.26723288
CAS RN 76685-82-0
C_ID C00012666 ,
InChIKey SYKUAMFXVHJZSH-GVOPXBJJNA-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-/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)COC(=O)/C=C(/CCO)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium verrucaria Ref.
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