CHEBI:225275 - Pyrindamycin 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 Pyrindamycin B
ChEBI ID CHEBI:225275
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H26ClN3O8
Net Charge 0
Average Mass 543.960
Monoisotopic Mass 543.14084
InChI InChI=1S/C26H26ClN3O8/c1-26(25(34)38-5)23(32)18-13-8-12(27)10-30(15(13)9-16(31)20(18)29-26)24(33)14-6-11-7-17(35-2)21(36-3)22(37-4)19(11)28-14/h6-7,9,12,28-29,31H,8,10H2,1-5H3/t12-,26+/m0/s1
InChIKey ILRQRCTVPANBBE-GWQKEKGPSA-N
SMILES Cl[C@@H]1CN(C=2C=C(O)C3=C(C2C1)C(=O)[C@@](C(=O)OC)(C)N3)C(=O)C=4NC=5C(OC)=C(OC)C(=CC5C4)OC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Pyrindamycin B (CHEBI:225275) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name
methyl (2R,8S)-8-chloro-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,7,8,9-tetrahydropyrrolo[3,2-]quinoline-2-carboxylate
Manual Xref Database
58790145 ChemSpider
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