CHEBI:201821 - Oximidine I

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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 Oximidine I
ChEBI ID CHEBI:201821
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24N2O7
Net Charge 0
Average Mass 440.452
Monoisotopic Mass 440.15835
InChI InChI=1S/C23H24N2O7/c1-30-25-14-6-12-19(27)24-13-5-11-17-21(28)22-18(31-22)10-3-2-7-15-8-4-9-16(26)20(15)23(29)32-17/h2-12,14,17-18,21-22,26,28H,13H2,1H3,(H,24,27)/b7-2+,10-3-,11-5+,12-6-,25-14-/t17-,18+,21+,22+/m0/s1
InChIKey MJQHXIHJXNEHLK-GGTJAALXSA-N
SMILES O=C1O[C@@H](/C=C/CNC(=O)/C=C\C=N/OC)[C@@H](O)[C@@H]2O[C@@H]2C=CC=CC=3C1=C(O)C=CC3
Metabolite of Species Details
Pseudomonas (NCBI:txid286) See: PubMed
ChEBI Ontology
Outgoing Oximidine I (CHEBI:201821) is a macrolide (CHEBI:25106)
IUPAC Name
(Z,4Z)-N-[(E)-3-[(4S,5R,6S,8R,9Z,11E)-5,17-dihydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-2-enyl]-4-methoxyiminobut-2-enamide
Manual Xref Database
78436778 ChemSpider
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