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CHEBI:198180 - 14'-hydroxymytoxin B

ChEBI IDCHEBI:198180
ChEBI Name14'-hydroxymytoxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O10
Net Charge0
Average Mass544.597
Monoisotopic Mass544.23085
SMILESCC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\CC[C@]5(C(=O)CO)OCC/C(=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)[C@H]5O
InChIInChI=1S/C29H36O10/c1-17-6-9-27-15-35-24(33)12-18-7-10-36-28(25(18)34,19(31)14-30)8-4-3-5-23(32)39-20-13-22(38-21(27)11-17)29(16-37-29)26(20,27)2/h3,5,11-12,20-22,25,30,34H,4,6-10,13-16H2,1-2H3/b5-3-,18-12-/t20-,21-,22-,25-,26-,27-,28-,29+/m1/s1
InChIKeyNXTLPIJHYLFGEX-MBEOYMEXSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (12027756)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
14'-hydroxymytoxin B (CHEBI:198180) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1E,6R,11R,13R,14S,15S,16R,19Z,23S,27R)-27-hydroxy-23-(2-hydroxyacetyl)-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19-triene-14,2'-oxirane]-3,18-dione
Manual XrefsDatabases
10282234ChemSpider