CHEBI:216078 - 8,13-deoxynargenicin

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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 8,13-deoxynargenicin
ChEBI ID CHEBI:216078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39NO7
Net Charge 0
Average Mass 501.620
Monoisotopic Mass 501.27265
InChI InChI=1S/C28H39NO7/c1-14-11-15(2)26(17(4)30)36-28(33)22(34-5)13-18-8-9-19-12-21(16(3)25(31)24(19)23(14)18)35-27(32)20-7-6-10-29-20/h6-11,15-19,21-26,29-31H,12-13H2,1-5H3/b14-11+/t15-,16+,17-,18-,19+,21+,22+,23?,24-,25-,26+/m1/s1
InChIKey RCMCCAJMCGPVKN-BLIOXOOUSA-N
SMILES O=C1O[C@@H]([C@@H](C=C(C)C2[C@@H](C[C@@H]1OC)C=C[C@H]3C[C@H](OC(=O)C=4NC=CC4)[C@@H]([C@H]([C@@H]23)O)C)C)[C@H](O)C
Metabolite of Species Details
Nocardiaspecies CS682 (NCBI:txid1047172) See: PubMed
ChEBI Ontology
Outgoing 8,13-deoxynargenicin (CHEBI:216078) is a oxacycle (CHEBI:38104)
IUPAC Name
[(2R,3S,4R,5S,7R,10S,12S,15S,16R,17E)-3-hydroxy-15-[(1R)-1-hydroxyethyl]-12-methoxy-4,16,18-trimethyl-13-oxo-14-oxatricyclo[8.8.0.02,7]octadeca-8,17-dien-5-yl] 1H-pyrrole-2-carboxylate