CHEBI:175875 - 8-Oxodiacetoxyscirpenol

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ChEBI Name 8-Oxodiacetoxyscirpenol
ChEBI ID CHEBI:175875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O8
Net Charge 0
Average Mass 380.393
Monoisotopic Mass 380.14712
InChI InChI=1S/C19H24O8/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/h5,13-16,23H,6-8H2,1-4H3/t13-,14+,15-,16-,17+,18+,19-/m1/s1
InChIKey FAQMCKSIBZGZIB-DROQDYNESA-N
SMILES O1[C@]2([C@@]3([C@]4([C@](O[C@@]2([C@@H](O)[C@H]3OC(=O)C)[H])(C=C(C(=O)C4)C)[H])COC(=O)C)C)C1
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8-Oxodiacetoxyscirpenol (CHEBI:175875) is a trichothecene (CHEBI:55517)
IUPAC Name
[(1R,2S,7R,9R,10S,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Manual Xref Database
67026086 ChemSpider
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