input word = C00012614

Metabolite InformationStructural formula
Name 8-Acetylneosolaniol
Neosoloaniol monoacetate
Formula C21H28O9
Mw 424.17333249
CAS RN 65041-92-1
C_ID C00012614 ,
InChIKey BIQPSTSCCIEMEI-URJNHGHRNA-N
InChICode InChI=1S/C21H28O9/c1-10-6-15-20(8-26-11(2)22,7-14(10)28-12(3)23)19(5)17(29-13(4)24)16(25)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21-/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)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium spp. Ref.
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OrganismFusarium spp.
ReferenceLansden,J.Agric.Food Chem.,26,(1978),246

Ishii,Appl.Environ.Microbiol.,42,(1981),541