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CHEBI:214574 - Myrotoxin A

ChEBI IDCHEBI:214574
ChEBI NameMyrotoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O9
Net Charge0
Average Mass500.544
Monoisotopic Mass500.20463
SMILESCC1=CC2OC3C[C@H]4OC(=O)/C=C\C/C=C5\OCC[C@@]6(O[C@@H]6C(=O)OC[C@@]2(CC1)[C@]4(C)C31CO1)C5O
InChIInChI=1S/C27H32O9/c1-15-7-8-25-13-32-23(30)22-26(36-22)9-10-31-16(21(26)29)5-3-4-6-20(28)35-17-12-19(34-18(25)11-15)27(14-33-27)24(17,25)2/h4-6,11,17-19,21-22,29H,3,7-10,12-14H2,1-2H3/b6-4-,16-5-/t17-,18?,19?,21?,22-,24-,25-,26-,27?/m1/s1
InChIKeyMYFXYOGWMOARGF-WAUMHQIXSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - DOI (10.1016/s0040-4039(00)94970-0)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Myrotoxin A (CHEBI:214574) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3S,7R,16S,17R,20Z,23Z)-28-hydroxy-10,16-dimethylspiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-4,19-dione