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CHEBI:207769 - Saccharoquinoline

ChEBI IDCHEBI:207769
ChEBI NameSaccharoquinoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO5
Net Charge0
Average Mass425.525
Monoisotopic Mass425.22022
SMILESCC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)Oc3c(O)c(O)c4nc(C(=O)O)ccc4c3C[C@@H]21
InChIInChI=1S/C25H31NO5/c1-23(2)9-5-10-24(3)16(23)8-11-25(4)17(24)12-14-13-6-7-15(22(29)30)26-18(13)19(27)20(28)21(14)31-25/h6-7,16-17,27-28H,5,8-12H2,1-4H3,(H,29,30)/t16-,17+,24-,25+/m1/s1
InChIKeyCHLKINYAFCYULV-USAPXKEJSA-N
Species of MetaboliteComponentSourceComments
Saccharomonospora (ncbitaxon:1851) - PubMed (30717397)
ChEBI Ontology
Outgoing Relation(s)
Saccharoquinoline (CHEBI:207769) is a pyridochromene (CHEBI:53792)
IUPAC Name 
(1S,14S,17R,22R)-10,11-dihydroxy-14,18,18,22-tetramethyl-13-oxa-8-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3,5,7,9,11-pentaene-7-carboxylic acid
Manual XrefsDatabases
71120847ChemSpider