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CHEBI:220196 - Hatomarubigin D

ChEBI IDCHEBI:220196
ChEBI NameHatomarubigin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H36O10
Net Charge0
Average Mass688.729
Monoisotopic Mass688.23085
SMILESCOc1cc(Cc2cc(OC)c3c(c2O)C(=O)c2c(ccc4c2[C@@H](O)C[C@@H](C)C4)C3=O)c(O)c2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3
InChIInChI=1S/C41H36O10/c1-16-9-18-5-7-22-30(28(18)24(42)11-16)40(48)34-32(38(22)46)26(50-3)14-20(36(34)44)13-21-15-27(51-4)33-35(37(21)45)41(49)31-23(39(33)47)8-6-19-10-17(2)12-25(43)29(19)31/h5-8,14-17,24-25,42-45H,9-13H2,1-4H3/t16-,17-,24-,25-/m0/s1
InChIKeyAASPEXAITKEFPE-SEMUBUJISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 2238-SVT4 (ncbitaxon:681626) - PubMed (1761414)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Hatomarubigin D (CHEBI:220196) is a angucycline (CHEBI:48130)
IUPAC Name 
(1S,3S)-10-[[(1S,3S)-1,11-dihydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo[a]anthracen-10-yl]methyl]-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
170540ChemSpider