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CHEBI:200918 - 8a-Hydroxyisotrichoverrin A

ChEBI IDCHEBI:200918
ChEBI Name8a-Hydroxyisotrichoverrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O10
Net Charge0
Average Mass548.629
Monoisotopic Mass548.26215
SMILESCC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@@H](O)[C@@H](C)O)[C@](C)([C@@]2(COC(=O)/C=C(\C)CCO)C[C@@H]1O)[C@]31CO1
InChIInChI=1S/C29H40O10/c1-17(9-10-30)11-26(35)36-15-28-14-21(33)18(2)12-23(28)38-24-13-22(27(28,4)29(24)16-37-29)39-25(34)8-6-5-7-20(32)19(3)31/h5-8,11-12,19-24,30-33H,9-10,13-16H2,1-4H3/b7-5+,8-6-,17-11+/t19-,20-,21+,22-,23-,24-,27-,28-,29+/m1/s1
InChIKeyNMFNSDQCZFJNKN-XCVHFJAXSA-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)
8a-Hydroxyisotrichoverrin A (CHEBI:200918) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,4S,7R,9R,11R,12S)-4-hydroxy-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6R,7R)-6,7-dihydroxyocta-2,4-dienoate
Manual XrefsDatabases
8682224ChemSpider