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CHEBI:213633 - Aspochalasin I

ChEBI IDCHEBI:213633
ChEBI NameAspochalasin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO5
Net Charge0
Average Mass417.546
Monoisotopic Mass417.25152
SMILESCC1=C[C@@H]2/C=C(\C)CC[C@H](O)[C@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H35NO5/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)30-24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+/t16-,17+,18+,19+,20-,22+,24-/m1/s1
InChIKeyTYOGSRFPSVCJQL-QYNSZGEFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (15043404)
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)
Aspochalasin I (CHEBI:213633) has role fungal metabolite (CHEBI:76946)
Aspochalasin I (CHEBI:213633) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1R,4E,6R,7S,10E,12S,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,13-triene-3,19-dione
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10186295ChemSpider