CHEBI:215027 - Pyralomicin 2a

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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 Pyralomicin 2a
ChEBI ID CHEBI:215027
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H19Cl2NO8
Net Charge 0
Average Mass 460.260
Monoisotopic Mass 459.04877
InChI InChI=1S/C19H19Cl2NO8/c1-6-3-8(20)13(25)11-12(24)7-4-10(21)22(18(7)30-16(6)11)19-15(27)14(26)17(28-2)9(5-23)29-19/h3-4,9,14-15,17,19,23,25-27H,5H2,1-2H3/t9-,14-,15-,17-,19-/m1/s1
InChIKey ZXYNPGZWOMFXHV-JUTSKPLTSA-N
SMILES ClC1=C(O)C2=C(OC=3N([C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO)C(=CC3C2=O)Cl)C(=C1)C
Metabolite of Species Details
Microtetraspora (NCBI:txid1995) See: PubMed
ChEBI Ontology
Outgoing Pyralomicin 2a (CHEBI:215027) is a chromones (CHEBI:23238)
IUPAC Name
2,6-dichloro-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-one
Manual Xref Database
2331432 ChemSpider
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