input word = C00012656

Metabolite InformationStructural formula
Name 12,13-Epoxy-trichothec-9-ene-3a,4b,8,15-tetrol 4,15-diacetate 8-isovalerate
Formula C24H34O9
Mw 466.22028269
CAS RN 20181-53-7
C_ID C00012656 ,
InChIKey BXFOFFBJRFZBQZ-YRBQENOQNA-N
InChICode InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17-,19-,20-,21-,22-,23-,24-/m1/s1
SMILES C1[C@]2([C@@H](C=C([C@@H]1OC(=O)CC(C)C)C)O[C@H]1[C@]3([C@]2(C)[C@@H]([C@H]1O)OC(=O)C)OC3)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium spp. Ref.
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OrganismFusarium spp.
ReferenceBamburg,Tetrahedron,24,(1968),3329

Tutel'yan,Dokl.Alad.Nauk SSSR, Ser.Khim.,274,(1984),727

Tutel'yan,Dev.Food Sci.,7,(1984),282