CHEBI:213597 - Urdamycin N9

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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 Urdamycin N9
ChEBI ID CHEBI:213597
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C39H48O14
Net Charge 0
Average Mass 740.799
Monoisotopic Mass 740.30441
InChI InChI=1S/C39H48O14/c1-15-11-21-29(22(40)12-15)31-32(39(48-6)38(21)47-5)37(46)30-20(36(31)45)8-7-19(35(30)44)25-14-26(34(43)18(4)49-25)53-27-10-9-24(16(2)50-27)52-28-13-23(41)33(42)17(3)51-28/h7-8,11-12,16-18,23-28,33-34,38-44H,9-10,13-14H2,1-6H3/t16-,17+,18+,23+,24-,25+,26+,27-,28-,33+,34+,38-,39-/m0/s1
InChIKey NLGPIAQPPWHQDB-HAPTVGJESA-N
SMILES O=C1C=2C3=C(O)C=C(C)C=C3[C@H](OC)[C@H](C2C(=O)C4=C1C=CC(=C4O)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C)CC6)C)C)OC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Urdamycin N9 (CHEBI:213597) is a anthraquinone (CHEBI:22580)
IUPAC Name
(5S,6S)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-1,8-dihydroxy-5,6-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione
Manual Xref Database
71044332 ChemSpider
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