CHEBI:210466 - Strepoxepinmycin B

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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 B
ChEBI ID CHEBI:210466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H31NO10
Net Charge 0
Average Mass 505.520
Monoisotopic Mass 505.19480
InChI InChI=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
InChIKey KGFQTNZEUDLHHM-VHSQHRHMSA-N
SMILES O=C1OC2=C([C@H](O[C@@H]([C@@H]2O)CC(=O)OC)C)C(C3=C1C=CC(=C3O)[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)N(C)C)C)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
71048392 ChemSpider
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