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CHEBI:225161 - 7beta,8beta-epoxyroridin H

ChEBI IDCHEBI:225161
ChEBI Name7beta,8beta-epoxyroridin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O9
Net Charge0
Average Mass526.582
Monoisotopic Mass526.22028
SMILESCC1=C[C@H]2OC3C[C@H]4OC(=O)/C=C\C=C/C5OC(C/C(C)=C\C(=O)OC[C@@]2([C@@H]2OC12)C4(C)[C@]31CO1)OC5C
InChIInChI=1S/C29H34O9/c1-15-9-23(31)32-13-28-20(11-16(2)25-26(28)38-25)36-21-12-19(27(28,4)29(21)14-33-29)37-22(30)8-6-5-7-18-17(3)34-24(10-15)35-18/h5-9,11,17-21,24-26H,10,12-14H2,1-4H3/b7-5-,8-6-,15-9-/t17?,18?,19-,20-,21?,24?,25?,26-,27?,28-,29+/m1/s1
InChIKeyVXOJFQZXGUOVSR-NIACSNKHSA-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-epoxyroridin H (CHEBI:225161) is a trichothecene (CHEBI:55517)
IUPAC Name 
(3R,8S,9S,13Z,20Z,22Z,26R,28S)-5,14,18,27-tetramethylspiro[2,7,11,17,25,30-hexaoxahexacyclo[24.2.1.116,19.03,9.06,8.09,27]triaconta-4,13,20,22-tetraene-28,2'-oxirane]-12,24-dione