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CHEBI:201458 - Neosolaniol

ChEBI IDCHEBI:201458
ChEBI NameNeosolaniol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O8
Net Charge0
Average Mass382.409
Monoisotopic Mass382.16277
SMILESCC(=O)OCC12CC(O)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2
InChIInChI=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
InChIKeyTVZHDVCTOCZDNE-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Neosolaniol (CHEBI:201458) is a trichothecene (CHEBI:55517)
IUPAC Name 
(11-acetyloxy-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Manual XrefsDatabases
377526ChemSpider
HMDB0255530HMDB