CHEBI:206956 - 19-methoxy-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 19-methoxy-19,20-dihydrophomacin C
ChEBI ID CHEBI:206956
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H41NO5
Net Charge 0
Average Mass 447.616
Monoisotopic Mass 447.29847
InChI InChI=1S/C26H41NO5/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/h9-10,14,17-22,24,28-29H,7-8,11-13H2,1-6H3,(H,27,31)/b15-9+/t17-,18+,19+,20+,21+,22+,24+,26-/m1/s1
InChIKey IVHIYFAYONFDBJ-OGLYOTCJSA-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](C[C@@H]([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 19-methoxy-19,20-dihydrophomacin C (CHEBI:206956) has role fungal metabolite (CHEBI:76946)
19-methoxy-19,20-dihydrophomacin C (CHEBI:206956) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,4S,5S,7S,9E,11S,14S,15R,16S)-5-hydroxy-7-(hydroxymethyl)-4-methoxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,18-dione
Manual Xref Database
63002593 ChemSpider
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