CHEBI:206935 - 18-oxo-19,20-dihydrophomacin C

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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 18-oxo-19,20-dihydrophomacin C
ChEBI ID CHEBI:206935
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H37NO4
Net Charge 0
Average Mass 415.574
Monoisotopic Mass 415.27226
InChI InChI=1S/C25H37NO4/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)25(19,23)24(30)26-21/h10-11,14,17-19,21,23,27H,6-9,12-13H2,1-5H3,(H,26,30)/b15-10+/t17-,18+,19+,21+,23+,25-/m1/s1
InChIKey QTVNNEMBCMYHSR-DVQAZVNXSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC(CC1)=O)CO)C)C)CC(C)C
Metabolite of Species Details
Westerdykella dispersa (NCBI:txid45154) 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 18-oxo-19,20-dihydrophomacin C (CHEBI:206935) has role fungal metabolite (CHEBI:76946)
18-oxo-19,20-dihydrophomacin C (CHEBI:206935) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,7S,9E,11S,14S,15R,16S)-7-(hydroxymethyl)-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione
Manual Xref Database
63002589 ChemSpider
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