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CHEBI:220024 - 3′-epi-16-hydroxyverrucarin A

ChEBI IDCHEBI:220024
ChEBI Name3′-epi-16-hydroxyverrucarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O10
Net Charge0
Average Mass518.559
Monoisotopic Mass518.21520
SMILESC[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CO)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@]31CO1
InChIInChI=1S/C27H34O10/c1-16-8-10-33-21(29)5-3-4-6-22(30)37-18-12-20-27(15-35-27)25(18,2)26(14-34-24(32)23(16)31)9-7-17(13-28)11-19(26)36-20/h3-6,11,16,18-20,23,28,31H,7-10,12-15H2,1-2H3/b5-3+,6-4-/t16-,18-,19-,20-,23+,25-,26-,27+/m1/s1
InChIKeyCHWMTSYJQGXKSR-OTWKOPSSSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
3′-epi-16-hydroxyverrucarin A (CHEBI:220024) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,12S,13R,18E,20Z,24R,25S,26S)-12-hydroxy-5-(hydroxymethyl)-13,25-dimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione
Manual XrefsDatabases
24660479ChemSpider