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CHEBI:199397 - Verrucarin Z

ChEBI IDCHEBI:199397
ChEBI NameVerrucarin Z
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O11
Net Charge0
Average Mass530.526
Monoisotopic Mass530.17881
SMILESCC12CCOC(=O)/C=C/C=C\C(=O)O[C@@H]3C[C@H]4O[C@@H]5C=C(C(=O)O)CC[C@]5(COC(=O)C1O2)[C@]3(C)[C@]41CO1
InChIInChI=1S/C27H30O11/c1-24-9-10-33-19(28)5-3-4-6-20(29)37-16-12-18-27(14-35-27)25(16,2)26(13-34-23(32)21(24)38-24)8-7-15(22(30)31)11-17(26)36-18/h3-6,11,16-18,21H,7-10,12-14H2,1-2H3,(H,30,31)/b5-3+,6-4-/t16-,17-,18-,21?,24?,25-,26-,27+/m1/s1
InChIKeyGRYXZQKYIKRQGU-QPOVBJHYSA-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 Z (CHEBI:199397) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,19E,21Z,25R,26S,27S)-14,26-dimethyl-11,18,23-trioxospiro[2,10,13,17,24-pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacosa-4,19,21-triene-27,2'-oxirane]-5-carboxylic acid