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

ChEBI IDCHEBI:216059
ChEBI Name23-demethyl 8,13-deoxynodusmicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESC/C1=C\[C@@H](C)[C@@H]([C@@H](C)O)OC(=O)[C@@H](O)C[C@H]2C=C[C@H]3C[C@H](O)[C@H](C)[C@@H](O)[C@H]3C12
InChIInChI=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
InChIKeyFIDAGQQRRMCHLC-KVOKHNQASA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies CS682 (ncbitaxon:1047172) - PubMed (32208643)
ChEBI Ontology
Outgoing Relation(s)
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