input word = C00012638

Metabolite InformationStructural formula
Name 15-Deacetylneosolaniol
Toxin NT 2
Formula C17H24O7
Mw 340.15220312
CAS RN 76348-84-0
C_ID C00012638 ,
InChIKey CSYVMZMEBKUDRQ-PFCWJRPDNA-N
InChICode InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17+/m0/s1
SMILES C1[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)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sporotrichioides Ref.
FungiNectriaceaeFusarium tricinctum Ref.
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OrganismFusarium tricinctum
ReferenceBamburg,Tetrahedron,24,(1968),3329

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

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