CHEBI:203164 - Leupyrrin 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 Leupyrrin C
ChEBI ID CHEBI:203164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H56N2O10
Net Charge 0
Average Mass 724.892
Monoisotopic Mass 724.39350
InChI InChI=1S/C40H56N2O10/c1-22(2)15-26-17-34(45)51-36-35(52-39(47)40(36,7)21-44)25(6)10-11-27-12-13-30(41-27)37-42-31(33(50-37)20-49-38(26)46)18-28-29(24(5)9-8-14-43)19-48-32(28)16-23(3)4/h10,12-13,18,22-23,26,31-33,35-36,41,43-44H,8-9,11,14-17,19-21H2,1-7H3/b25-10+,28-18-,29-24+/t26-,31?,32?,33?,35?,36?,40?/m0/s1
InChIKey XLXHKRNRAZZHCX-OXBRVNNASA-N
SMILES O=C1OCC2OC(C=3NC(CC=C(C4C(OC(C[C@@H]1CC(C)C)=O)C(C(=O)O4)(CO)C)C)=CC3)=NC2/C=C\5/C(=C(/CCCO)\C)/COC5CC(C)C
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: PubMed
ChEBI Ontology
Outgoing Leupyrrin C (CHEBI:203164) is a macrolide (CHEBI:25106)
IUPAC Name
(7E,17S)-12-(hydroxymethyl)-22-[(Z)-[(4Z)-4-(5-hydroxypentan-2-ylidene)-2-(2-methylpropyl)oxolan-3-ylidene]methyl]-8,12-dimethyl-17-(2-methylpropyl)-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.12,5.09,13]pentacosa-1(23),2,4,7-tetraene-11,15,18-trione
Manual Xref Database
9094906 ChemSpider
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