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CHEBI:225167 - 7beta,8beta-epoxyisororidin E

ChEBI IDCHEBI:225167
ChEBI Name7beta,8beta-epoxyisororidin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O9
Net Charge0
Average Mass528.598
Monoisotopic Mass528.23593
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([C@@H]2OC12)C4(C)[C@]31CO1
InChIInChI=1S/C29H36O9/c1-16-9-10-33-19(18(3)30)7-5-6-8-23(31)37-20-13-22-29(15-35-29)27(20,4)28(14-34-24(32)11-16)21(36-22)12-17(2)25-26(28)38-25/h5-8,11-12,18-22,25-26,30H,9-10,13-15H2,1-4H3/b7-5-,8-6-,16-11-/t18?,19?,20-,21-,22?,25?,26-,27?,28-,29+/m1/s1
InChIKeySVPSTMIMOGGJOG-CBYZLBOXSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon (ncbitaxon:13474) - PubMed (561773)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
7beta,8beta-epoxyisororidin E (CHEBI:225167) is a trichothecene (CHEBI:55517)
IUPAC Name 
(3R,8S,9S,13Z,19Z,21Z,25R,27S)-18-(1-hydroxyethyl)-5,14,26-trimethylspiro[2,7,11,17,24-pentaoxapentacyclo[23.2.1.03,9.06,8.09,26]octacosa-4,13,19,21-tetraene-27,2'-oxirane]-12,23-dione
Manual XrefsDatabases
78445745ChemSpider