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CHEBI:49981 - 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate

Default Structure
ChEBI IDCHEBI:49981
ChEBI Name12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate
Stars
DownloadsMolfile
FormulaC24H32O9
Net Charge0
Average Mass464.511
Monoisotopic Mass464.20463
SMILES[H]O[C@@]1([H])[C@@]2([H])O[C@]3([H])C([H])=C(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])C(=C([H])[H])C([H])([H])[H])C([H])([H])[C@]3(C([H])([H])OC(=O)C([H])([H])[H])[C@@](C([H])([H])[H])([C@]1([H])OC(=O)C([H])([H])[H])[C@@]21OC1([H])[H]
InChIInChI=1S/C24H32O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,16-17,19-21,28H,1,7,9-11H2,2-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1
InChIKeyJESYGVLQSIZOBZ-QYWOHJEZSA-N
ChEBI Ontology
Outgoing Relation(s)
12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate (CHEBI:49981) is a unclassifieds (CHEBI:27189)
Synonyms  Source
12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovaleratePDBeChem
(3alpha,4alpha,8beta,11beta)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbut-3-enoatePDBeChem
Manual XrefsDatabases
ZBAPDBeChem