CHEBI:4478 - Diacetoxyscirpenol

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ChEBI Name Diacetoxyscirpenol ChEBI ID CHEBI:4478 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H26O7 Net Charge 0 Average Mass 366.406 Monoisotopic Mass 366.16785 InChI InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1 InChIKey AUGQEEXBDZWUJY-ZLJUKNTDSA-N SMILES CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]11CO1 Roles Classification Biological Role(s): mycotoxin Poisonous substance produced by fungi. (via trichothecene ) View more via ChEBI Ontology ChEBI Ontology Outgoing Diacetoxyscirpenol (CHEBI:4478) is a trichothecene (CHEBI:55517) Synonym Source Diacetoxyscirpenol KEGG COMPOUND Manual Xrefs Databases C00003129 KNApSAcK C09662 KEGG COMPOUND View more database links Registry Number Type Source 2270-40-8 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014