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CHEBI:224166 - 14′-dehydrovertisporin

ChEBI IDCHEBI:224166
ChEBI Name14′-dehydrovertisporin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O11
Net Charge0
Average Mass558.580
Monoisotopic Mass558.21011
SMILESC[C@]12[C@H]3C[C@@H](O[C@@H]4C=C(CO)CC[C@@]41COC(=O)/C=C1/CCO[C@@]4(CC/C=C\C(=O)O3)[C@@H]1OC(=O)[C@@H]4O)[C@]21CO1
InChIInChI=1S/C29H34O11/c1-26-18-12-20(29(26)15-37-29)38-19-10-16(13-30)5-8-27(19,26)14-35-22(32)11-17-6-9-36-28(7-3-2-4-21(31)39-18)23(33)25(34)40-24(17)28/h2,4,10-11,18-20,23-24,30,33H,3,5-9,12-15H2,1H3/b4-2-,17-11-/t18-,19-,20-,23+,24-,26+,27-,28-,29-/m1/s1
InChIKeyWZFQVHLHDOHYPH-LNIVZOOLSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (31117520)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
14′-dehydrovertisporin (CHEBI:224166) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,4Z,8R,9R,10R,11R,13R,18R,22Z,24R,27R)-27-hydroxy-15-(hydroxymethyl)-9-methylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,14,22-triene-10,2'-oxirane]-6,21,26-trione