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CHEBI:202753 - Brasiliquinone D

ChEBI IDCHEBI:202753
ChEBI NameBrasiliquinone D
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SubmitterMetaboLights
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FormulaC28H29NO8
Net Charge0
Average Mass507.539
Monoisotopic Mass507.18932
SMILESCC[C@@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O[C@H]4C[C@@H](NC(C)=O)[C@@H](O)[C@H](C)O4)c2C3=O)C1
InChIInChI=1S/C28H29NO8/c1-4-14-8-15-10-19(32)24-25(22(15)18(31)9-14)27(34)16-6-5-7-20(23(16)28(24)35)37-21-11-17(29-13(3)30)26(33)12(2)36-21/h5-7,10,12,14,17,21,26,32-33H,4,8-9,11H2,1-3H3,(H,29,30)/t12-,14-,17+,21-,26-/m0/s1
InChIKeyIVLQWYIHDNEUEU-OFVRIQARSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - DOI (10.1021/np990265v)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Brasiliquinone D (CHEBI:202753) is a angucycline (CHEBI:48130)
IUPAC Name 
N-[(2S,3R,4R,6S)-6-[[(3S)-3-ethyl-6-hydroxy-1,7,12-trioxo-3,4-dihydro-2H-benzo[a]anthracen-8-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]acetamide
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