CHEBI:210462 - Strepoxepinmycin A

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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 A
ChEBI ID CHEBI:210462
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H27NO9
Net Charge 0
Average Mass 473.478
Monoisotopic Mass 473.16858
InChI InChI=1S/C24H27NO9/c1-9-17-21(29)18-12(24(30)34-23(17)22-15(31-9)8-16(26)33-22)6-5-11(20(18)28)14-7-13(25(3)4)19(27)10(2)32-14/h5-6,9-10,13-15,19,22,27-28H,7-8H2,1-4H3/t9-,10-,13-,14-,15-,19-,22+/m1/s1
InChIKey DOGTUFDIMWQYID-GFXYGLKWSA-N
SMILES O=C1OC2=C([C@H](O[C@H]3[C@@H]2OC(=O)C3)C)C(C4=C1C=CC(=C4O)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)N(C)C)C)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Strepoxepinmycin A (CHEBI:210462) is a phenols (CHEBI:33853)
IUPAC Name
(12S,16R,18R)-5-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-18-methyl-10,13,17-trioxatetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6-tetraene-2,9,14-trione
Manual Xref Database
71048391 ChemSpider
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