input word = C00012651

Metabolite InformationStructural formula
Name Toxin HT 2
Formula C22H32O8
Mw 424.209718
CAS RN 26934-87-2
C_ID C00012651 ,
InChIKey PNKLMTPXERFKEN-SZEMSMLYNA-N
InChICode InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1
SMILES CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)C2(C)C12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium spp. Ref.
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