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CHEBI:207110 - Chartarene D

ChEBI IDCHEBI:207110
ChEBI NameChartarene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O8
Net Charge0
Average Mass512.599
Monoisotopic Mass512.24102
SMILESCC(=O)/C1=C/C=C\CC(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(C)CC[C@]4(COC(=O)/C=C(\C)CCO1)[C@]2(C)[C@@]31CO1
InChIInChI=1S/C29H36O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-7,13-14,22-24H,8-12,15-17H2,1-4H3/b6-5-,19-14+,21-7-/t22-,23-,24-,27-,28-,29-/m1/s1
InChIKeyJEOYXUFEWFZLQH-YINRCGQZSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1039/c6ra26956g)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Chartarene D (CHEBI:207110) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,12E,17Z,19Z,24R,25S,26R)-17-acetyl-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,17,19-tetraene-26,2'-oxirane]-11,22-dione
Manual XrefsDatabases
61708720ChemSpider