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CHEBI:201140 - Marmycin B

ChEBI IDCHEBI:201140
ChEBI NameMarmycin B
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SubmitterMetaboLights
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FormulaC26H22ClNO4
Net Charge0
Average Mass447.918
Monoisotopic Mass447.12374
SMILESCc1ccc2c3c(ccc2c1)C(=O)c1c2c(cc(Cl)c1C3=O)[C@H]1C[C@](C)(N2)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C26H22ClNO4/c1-11-4-6-14-13(8-11)5-7-15-19(14)24(30)20-17(27)9-16-18-10-26(3,25(31)12(2)32-18)28-22(16)21(20)23(15)29/h4-9,12,18,25,28,31H,10H2,1-3H3/t12-,18-,25-,26+/m1/s1
InChIKeyVRJIWWHHNNFQNO-VKZZHREWSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (17844998)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Marmycin B (CHEBI:201140) is a angucycline (CHEBI:48130)
IUPAC Name 
(1R,21S,22S,23R)-4-chloro-22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2,4,7(16),8(13),9,11,14,18-octaene-6,17-dione
Manual XrefsDatabases
23076531ChemSpider