CHEBI:216059 - 23-demethyl 8,13-deoxynodusmicin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 23-demethyl 8,13-deoxynodusmicin
ChEBI ID CHEBI:216059
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O6
Net Charge 0
Average Mass 394.508
Monoisotopic Mass 394.23554
InChI InChI=1S/C22H34O6/c1-10-7-11(2)21(13(4)23)28-22(27)17(25)9-14-5-6-15-8-16(24)12(3)20(26)19(15)18(10)14/h5-7,11-21,23-26H,8-9H2,1-4H3/b10-7+/t11-,12+,13-,14-,15+,16+,17+,18?,19-,20-,21+/m1/s1
InChIKey FIDAGQQRRMCHLC-KVOKHNQASA-N
SMILES O=C1O[C@@H]([C@@H](C=C(C)C2[C@@H](C[C@@H]1O)C=C[C@H]3C[C@H](O)[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 23-demethyl 8,13-deoxynodusmicin (CHEBI:216059) is a oxacycle (CHEBI:38104)
IUPAC Name
(2R,3S,4S,5S,7R,10S,12S,15S,16R,17E)-3,5,12-trihydroxy-15-[(1R)-1-hydroxyethyl]-4,16,18-trimethyl-14-oxatricyclo[8.8.0.02,7]octadeca-8,17-dien-13-one