CHEBI:200989 - Xylarisin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Xylarisin
ChEBI ID CHEBI:200989
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H33NO5
Net Charge 0
Average Mass 391.508
Monoisotopic Mass 391.23587
InChI InChI=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
InChIKey GNNKACUJOHRGTR-QOYOXESOSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@H]4[C@H]([C@@H]3C=C[C@@H](O)CCC[C@@H](C1)O)O4)CC(C)C
Metabolite of Species Details
Xylaria (NCBI:txid37991) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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ChEBI Ontology
Outgoing 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 Xref Database
27024392 ChemSpider
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