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CHEBI:225171 - Isororidin E

ChEBI IDCHEBI:225171
ChEBI NameIsororidin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O8
Net Charge0
Average Mass514.615
Monoisotopic Mass514.25667
SMILESCC1=C[C@H]2OC3C[C@H]4OC(=O)/C=C\C=C/C(C(C)O)OCC/C(C)=C\C(=O)OC[C@@]2(CC1)C4(C)[C@]31CO1
InChIInChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20?,21?,22-,23-,24?,27?,28-,29+/m1/s1
InChIKeyKEEQQEKLEZRLDS-TWOXHJJMSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon (ncbitaxon:13474) - PubMed (561773)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Isororidin E (CHEBI:225171) is a trichothecene (CHEBI:55517)
IUPAC Name 
(3R,8R,12Z,18Z,20Z,24R,26S)-17-(1-hydroxyethyl)-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]-11,22-dione
Manual XrefsDatabases
8090091ChemSpider