CHEBI:210472 - Strepoxepinmycin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Strepoxepinmycin C
ChEBI ID CHEBI:210472
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H33NO10
Net Charge 0
Average Mass 507.536
Monoisotopic Mass 507.21045
InChI InChI=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
InChIKey GAVNVFNXYZXONL-XARPAGAKSA-N
SMILES O=C1C2=C(O)C(=CC=C2C(=O)[C@]3([C@@]1(O)[C@H](O[C@@H](C3)CC(=O)OC)C)O)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)N(C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
71048393 ChemSpider
View more database links