CHEBI:175886 - 4,8-Diacetyl-T2-tetrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4,8-Diacetyl-T2-tetrol
ChEBI ID CHEBI:175886
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H26O8
Net Charge 0
Average Mass 382.409
Monoisotopic Mass 382.16277
InChI InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3
InChIKey UROCTWOJYLMRHO-UHFFFAOYSA-N
SMILES O1C2(C3(C4(C(OC2C(O)C3OC(=O)C)C=C(C(OC(=O)C)C4)C)CO)C)C1
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4,8-Diacetyl-T2-tetrol (CHEBI:175886) is a trichothecene (CHEBI:55517)
IUPAC Name
[11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
Manual Xrefs Databases
8198344 ChemSpider
HMDB0035201 HMDB
View more database links