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CHEBI:216066 - 23-demethyl 8,13-deoxydemethoxynargenicin

Default Structure
ChEBI IDCHEBI:216066
ChEBI Name23-demethyl 8,13-deoxydemethoxynargenicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO7
Net Charge0
Average Mass487.593
Monoisotopic Mass487.25700
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](OC(=O)c4cccn4)[C@H](C)[C@@H](O)[C@H]3C12
InChIInChI=1S/C27H37NO7/c1-13-10-14(2)25(16(4)29)35-27(33)20(30)11-17-7-8-18-12-21(15(3)24(31)23(18)22(13)17)34-26(32)19-6-5-9-28-19/h5-10,14-18,20-25,28-31H,11-12H2,1-4H3/b13-10+/t14-,15+,16-,17-,18+,20+,21+,22?,23-,24-,25+/m1/s1
InChIKeyXPTOZYIJTVTVIB-MOFSLDSZSA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies CS682 (ncbitaxon:1047172) - PubMed (32208643)
ChEBI Ontology
Outgoing Relation(s)
23-demethyl 8,13-deoxydemethoxynargenicin (CHEBI:216066) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2R,3S,4R,5S,7R,10S,12S,15S,16R,17E)-3,12-dihydroxy-15-[(1R)-1-hydroxyethyl]-4,16,18-trimethyl-13-oxo-14-oxatricyclo[8.8.0.02,7]octadeca-8,17-dien-5-yl] 1H-pyrrole-2-carboxylate