EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216492 - Verrucarin Y

ChEBI IDCHEBI:216492
ChEBI NameVerrucarin Y
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O10
Net Charge0
Average Mass514.527
Monoisotopic Mass514.18390
SMILESC/C1=C\C(=O)OC[C@]23CCC(C(=O)O)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C\C(=O)OCC1)[C@@]3(C)[C@]21CO1
InChIInChI=1S/C27H30O10/c1-16-8-10-33-21(28)5-3-4-6-22(29)37-18-13-20-27(15-35-27)25(18,2)26(14-34-23(30)11-16)9-7-17(24(31)32)12-19(26)36-20/h3-6,11-12,18-20H,7-10,13-15H2,1-2H3,(H,31,32)/b5-3+,6-4-,16-11+/t18-,19-,20-,25-,26-,27+/m1/s1
InChIKeyZVTFIUWWSHNKFE-AXCBPCLSSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - PubMed (26320597)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Verrucarin Y (CHEBI:216492) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,12E,18E,20Z,24R,25S,26S)-13,25-dimethyl-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]-5-carboxylic acid
Manual XrefsDatabases
78437559ChemSpider