input word = C00012639

Metabolite InformationStructural formula
Name Isoneosolaniol
NT 1
Toxin NT 1
Toxin T 1
Formula C19H26O8
Mw 382.16276781
CAS RN 65180-29-2
C_ID C00012639 ,
InChIKey UROCTWOJYLMRHO-KQALXQHRNA-N
InChICode InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3/t12-,13+,14+,15+,16?,17-,18+,19-/m0/s1
SMILES C1[C@]2([C@@H](C=C([C@H]1OC(=O)C)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
BacteriaPasteurellaceaeHaemophilus parainfluenzae Ref.
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