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CHEBI:202594 - Verrucarin M

ChEBI IDCHEBI:202594
ChEBI NameVerrucarin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O9
Net Charge0
Average Mass500.544
Monoisotopic Mass500.20463
SMILESCC1=CC(=O)OCC23CCC(C)=C[C@H]2O[C@@H]2C(O)C(OC(=O)/C=C/C=C/C(=O)OCC1)C3(C)C21CO1
InChIInChI=1S/C27H32O9/c1-16-8-10-26-14-33-21(30)13-17(2)9-11-32-19(28)6-4-5-7-20(29)36-23-22(31)24(35-18(26)12-16)27(15-34-27)25(23,26)3/h4-7,12-13,18,22-24,31H,8-11,14-15H2,1-3H3/b6-4+,7-5+,17-13?/t18-,22?,23?,24-,25?,26?,27?/m1/s1
InChIKeySBDCDLYTQBGFRK-KUPGYVKFSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - PubMed (11827043)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Verrucarin M (CHEBI:202594) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,18E,20E)-27-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione