input word = C00012633

Metabolite InformationStructural formula
Name (3alpha,4beta,7alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,7,8,15-pentol 4,15-diacetate
Formula C19H26O9
Mw 398.15768243
CAS RN 25861-69-2
C_ID C00012633 ,
InChIKey ARKWUSFUCGIADI-HOOHHRCNNA-N
InChICode InChI=1S/C19H26O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11-16,22-24H,6-7H2,1-4H3/t11-,12+,13-,14+,15-,16-,17?,18+,19-/m1/s1
SMILES [C@H]1([C@@]2([C@@H](C=C([C@@H]1O)C)O[C@H]1[C@]3([C@@]2([C@@H]([C@H]1O)OC(=O)C)C)OC3)COC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium spp. Ref.
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