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CHEBI:218206 - Epiroridin acid

ChEBI IDCHEBI:218206
ChEBI NameEpiroridin acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O10
Net Charge0
Average Mass544.597
Monoisotopic Mass544.23085
SMILESCC1=CC(=O)OC[C@]23CCC(C(=O)O)=C[C@H]2O[C@@H]2C[C@H](OC(=O)/C=C\C=C\[C@H]([C@H](C)O)OCC1)[C@@]3(C)[C@]21CO1
InChIInChI=1S/C29H36O10/c1-17-9-11-35-20(18(2)30)6-4-5-7-24(31)39-21-14-23-29(16-37-29)27(21,3)28(15-36-25(32)12-17)10-8-19(26(33)34)13-22(28)38-23/h4-7,12-13,18,20-23,30H,8-11,14-16H2,1-3H3,(H,33,34)/b6-4+,7-5-,17-12?/t18-,20+,21-,22+,23+,27+,28+,29-/m0/s1
InChIKeyAUDNYEHCZOOEAQ-IQEGVICCSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - PubMed (26795403)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Epiroridin acid (CHEBI:218206) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,17R,18E,20Z,24S,25S,26S)-17-[(1S)-1-hydroxyethyl]-13,25-dimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-5-carboxylic acid