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CHEBI:223525 - Marangucycline B

ChEBI IDCHEBI:223525
ChEBI NameMarangucycline B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O9
Net Charge0
Average Mass544.556
Monoisotopic Mass544.17333
SMILESCc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@H]2C[C@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@@H](C)O2)c1O)C3=O
InChIInChI=1S/C31H28O9/c1-12-8-15-4-5-17-25(24(15)20(33)9-12)28(35)18-7-6-16(27(34)26(18)29(17)36)21-11-22-30(14(3)37-21)40-31-23(39-22)10-19(32)13(2)38-31/h4-9,13-14,21-23,30-31,33-34H,10-11H2,1-3H3/t13-,14+,21+,22+,23-,30+,31-/m0/s1
InChIKeyGYRDANFHHGXTKK-XIBFKZRZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SCSIO 11594 (ncbitaxon:1653071) - PubMed (25786061)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Marangucycline B (CHEBI:223525) is a angucycline (CHEBI:48130)
IUPAC Name 
9-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
35516828ChemSpider