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CHEBI:210472 - Strepoxepinmycin C

ChEBI IDCHEBI:210472
ChEBI NameStrepoxepinmycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO10
Net Charge0
Average Mass507.536
Monoisotopic Mass507.21045
SMILESCOC(=O)C[C@@H]1C[C@@]2(O)C(=O)c3ccc([C@H]4C[C@@H](N(C)C)[C@H](O)[C@@H](C)O4)c(O)c3C(=O)[C@]2(O)[C@@H](C)O1
InChIInChI=1S/C25H33NO10/c1-11-20(28)16(26(3)4)9-17(35-11)14-6-7-15-19(21(14)29)23(31)25(33)12(2)36-13(8-18(27)34-5)10-24(25,32)22(15)30/h6-7,11-13,16-17,20,28-29,32-33H,8-10H2,1-5H3/t11-,12-,13-,16-,17-,20-,24-,25-/m1/s1
InChIKeyGAVNVFNXYZXONL-XARPAGAKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30209946)
ChEBI Ontology
Outgoing Relation(s)
Strepoxepinmycin C (CHEBI:210472) is a organic heterotricyclic compound (CHEBI:26979)
Strepoxepinmycin C (CHEBI:210472) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl 2-[(1R,3S,4aS,10aS)-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
Manual XrefsDatabases
71048393ChemSpider