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CHEBI:210466 - Strepoxepinmycin B

ChEBI IDCHEBI:210466
ChEBI NameStrepoxepinmycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO10
Net Charge0
Average Mass505.520
Monoisotopic Mass505.19480
SMILESCOC(=O)C[C@H]1O[C@H](C)c2c(oc(=O)c3ccc([C@H]4C[C@@H](N(C)C)[C@H](O)[C@@H](C)O4)c(O)c3c2=O)[C@H]1O
InChIInChI=1S/C25H31NO10/c1-10-18-23(31)19-13(25(32)36-24(18)22(30)16(34-10)9-17(27)33-5)7-6-12(21(19)29)15-8-14(26(3)4)20(28)11(2)35-15/h6-7,10-11,14-16,20,22,28-30H,8-9H2,1-5H3/t10-,11-,14-,15-,16-,20-,22+/m1/s1
InChIKeyKGFQTNZEUDLHHM-VHSQHRHMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30209946)
ChEBI Ontology
Outgoing Relation(s)
Strepoxepinmycin B (CHEBI:210466) is a phenols (CHEBI:33853)
IUPAC Name 
methyl 2-[(1R,3R,4S)-9-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4,10-dihydroxy-1-methyl-6,11-dioxo-3,4-dihydro-1H-pyrano[4,3-c][2]benzoxepin-3-yl]acetate
Manual XrefsDatabases
71048392ChemSpider