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CHEBI:221849 - 9beta,10beta-Epoxyisotrichoverrin A

ChEBI IDCHEBI:221849
ChEBI Name9beta,10beta-Epoxyisotrichoverrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O10
Net Charge0
Average Mass548.629
Monoisotopic Mass548.26215
SMILESC/C(=C\C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@@H]1C[C@@H](OC(=O)/C=C\C=C\[C@@H](O)[C@@H](C)O)[C@@]2(C)[C@]12CO2)CCO
InChIInChI=1S/C29H40O10/c1-17(9-12-30)13-23(34)35-15-28-11-10-26(3)24(39-26)25(28)38-21-14-20(27(28,4)29(21)16-36-29)37-22(33)8-6-5-7-19(32)18(2)31/h5-8,13,18-21,24-25,30-32H,9-12,14-16H2,1-4H3/b7-5+,8-6-,17-13+/t18-,19-,20-,21-,24+,25-,26-,27-,28-,29+/m1/s1
InChIKeyWEMJGJUXWJHCES-UZIKFMNGSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - PubMed (8882427)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
9beta,10beta-Epoxyisotrichoverrin A (CHEBI:221849) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,5R,7S,8S,10R,12R,13S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[6,9-dioxatetracyclo[8.2.1.02,8.05,7]tridecane-13,2'-oxirane]-12-yl] (2Z,4E,6R,7R)-6,7-dihydroxyocta-2,4-dienoate
Manual XrefsDatabases
8896679ChemSpider