CHEBI:175141 - 3-Acetoxyscirpene-4,15-diol

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ChEBI Name 3-Acetoxyscirpene-4,15-diol
ChEBI ID CHEBI:175141
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H24O6
Net Charge 0
Average Mass 324.373
Monoisotopic Mass 324.15729
InChI InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(22-10(2)19)13(20)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKey NFFRTZSZVQIMDJ-OINWIYPRSA-N
SMILES O1[C@@]2([C@]3([C@@]4([C@](O[C@@]2([C@H](OC(=O)C)[C@H]3O)[H])(C=C(CC4)C)[H])CO)C)C1
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Acetoxyscirpene-4,15-diol (CHEBI:175141) is a trichothecene (CHEBI:55517)
IUPAC Name
[(1S,2R,7R,9R,10R,11S,12S)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Manual Xref Database
137034 ChemSpider
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Registry Number Type Source
70402-13-0 CAS Registry Number ChemIDplus