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CHEBI:225508 - Verrucarin L acetate

ChEBI IDCHEBI:225508
ChEBI NameVerrucarin L acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O10
Net Charge0
Average Mass542.581
Monoisotopic Mass542.21520
SMILESCC(=O)O[C@H]1C[C@@]23COC(=O)/C=C(\C)CCOC(=O)/C=C/C=C\C(=O)O[C@@H]4C[C@@H](O[C@@H]2C=C1C)C1(CO1)[C@]43C
InChIInChI=1S/C29H34O10/c1-17-9-10-34-24(31)7-5-6-8-25(32)39-21-13-23-29(16-36-29)27(21,4)28(15-35-26(33)11-17)14-20(37-19(3)30)18(2)12-22(28)38-23/h5-8,11-12,20-23H,9-10,13-16H2,1-4H3/b7-5+,8-6-,17-11+/t20-,21+,22+,23+,27+,28+,29?/m0/s1
InChIKeySNYKMGDHCWLQEW-GOMARCBHSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - DOI (10.1021/jo00345a044)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Verrucarin L acetate (CHEBI:225508) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,3R,6S,8R,12E,18E,20Z,24R,25S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-6-yl] acetate
Manual XrefsDatabases
78440313ChemSpider