CHEBI:206945 - 18-oxo-19-hydroxyl-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-hydroxyl-19,20-dihydrophomacin C
ChEBI ID CHEBI:206945
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H39NO5
Net Charge 0
Average Mass 445.600
Monoisotopic Mass 445.28282
InChI InChI=1S/C26H39NO5/c1-14(2)7-20-24-17(5)16(4)10-19-9-15(3)8-18(13-28)11-21(29)22(32-6)12-23(30)26(19,24)25(31)27-20/h9-10,14,17-20,22,24,28H,7-8,11-13H2,1-6H3,(H,27,31)/b15-9+/t17-,18+,19+,20+,22-,24+,26-/m1/s1
InChIKey OAOOMDJOUWPNCG-NUVFGYADSA-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([C@@H](C1)OC)=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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 18-oxo-19-hydroxyl-19,20-dihydrophomacin C (CHEBI:206945) has role fungal metabolite (CHEBI:76946)
18-oxo-19-hydroxyl-19,20-dihydrophomacin C (CHEBI:206945) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,4R,7S,9E,11S,14S,15R,16S)-7-(hydroxymethyl)-4-methoxy-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
63002591 ChemSpider
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