input word = C00012613

Metabolite InformationStructural formula
Name Neosolaniol
Neozolaniol
Solaniol
Solaniol
(3alpha,4beta,8alpha)-12,13-Epoxy-trichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate
Formula C19H26O8
Mw 382.16276781
CAS RN 36519-25-2
C_ID C00012613 ,
InChIKey TVZHDVCTOCZDNE-KQALXQHRNA-N
InChICode InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16?,17-,18+,19+/m0/s1
SMILES C1[C@]2([C@@H](C=C([C@H]1O)C)O[C@H]1[C@]3([C@]2([C@@H]([C@H]1O)OC(=O)C)C)OC3)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium solani Ref.
FungiNectriaceaeFusarium sp. Ref.
FungiNectriaceaeFusarium spp. Ref.
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OrganismFusarium sp.
ReferenceMedentsev,Phytochem.,47,(1998),935