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CHEBI:200989 - Xylarisin

ChEBI IDCHEBI:200989
ChEBI NameXylarisin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO5
Net Charge0
Average Mass391.508
Monoisotopic Mass391.23587
SMILESCC(C)C[C@@H]1NC(=O)[C@@]23C(=O)C[C@@H](O)CCC[C@H](O)/C=C/[C@H]2[C@@H]2O[C@@H]2[C@@H](C)[C@@H]13
InChIInChI=1S/C22H33NO5/c1-11(2)9-16-18-12(3)19-20(28-19)15-8-7-13(24)5-4-6-14(25)10-17(26)22(15,18)21(27)23-16/h7-8,11-16,18-20,24-25H,4-6,9-10H2,1-3H3,(H,23,27)/b8-7+/t12-,13-,14-,15-,16-,18-,19+,20-,22+/m0/s1
InChIKeyGNNKACUJOHRGTR-QOYOXESOSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (19952454)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Xylarisin (CHEBI:200989) has role fungal metabolite (CHEBI:76946)
Xylarisin (CHEBI:200989) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1R,4S,8S,9E,11R,12S,14R,15S,16R,17S)-4,8-dihydroxy-15-methyl-17-(2-methylpropyl)-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadec-9-ene-2,19-dione
Manual XrefsDatabases
27024392ChemSpider