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CHEBI:210478 - Strepoxepinmycin D

ChEBI IDCHEBI:210478
ChEBI NameStrepoxepinmycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29NO8
Net Charge0
Average Mass471.506
Monoisotopic Mass471.18932
SMILESCOC(=O)C[C@@H]1C=C2C(=O)c3ccc([C@H]4C[C@@H](N(C)C)[C@H](O)[C@@H](C)O4)c(O)c3C(=O)C2=C(C)O1
InChIInChI=1S/C25H29NO8/c1-11-20-16(8-13(33-11)9-19(27)32-5)23(29)15-7-6-14(24(30)21(15)25(20)31)18-10-17(26(3)4)22(28)12(2)34-18/h6-8,12-13,17-18,22,28,30H,9-10H2,1-5H3/t12-,13+,17-,18-,22-/m1/s1
InChIKeyOQSBSPHNUBIWGR-GENZCCAWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30209946)
ChEBI Ontology
Outgoing Relation(s)
Strepoxepinmycin D (CHEBI:210478) is a organic heterotricyclic compound (CHEBI:26979)
Strepoxepinmycin D (CHEBI:210478) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl 2-[(3R)-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-9-hydroxy-1-methyl-5,10-dioxo-3H-benzo[g]isochromen-3-yl]acetate
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78441700ChemSpider