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CHEBI:69185 - JBIR-85

ChEBI IDCHEBI:69185
ChEBI NameJBIR-85
Stars
DefinitionA natural product found in Streptomyces species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H20O10
Net Charge0
Average Mass444.392
Monoisotopic Mass444.10565
SMILES[H][C@@]12C[C@@]34C(=O)c5c(O)c(OC)cc(O)c5C(=O)C3=C(O)[C@]1(OC)C(=O)O[C@]2([H])C[C@H]4C(C)=O
InChIInChI=1S/C22H20O10/c1-7(23)8-4-11-9-6-21(8)15(19(28)22(9,31-3)20(29)32-11)17(26)13-10(24)5-12(30-2)16(25)14(13)18(21)27/h5,8-9,11,24-25,28H,4,6H2,1-3H3/t8-,9-,11+,21-,22-/m0/s1
InChIKeyWMHYXAXGNZAMDO-AHIRLFQDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) mycelium (BTO:0001436) PubMed (22145663) Me2CO extract of mycelial cake Strain: RI 77
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
JBIR-85 (CHEBI:69185) has role metabolite (CHEBI:25212)
JBIR-85 (CHEBI:69185) is a anthraquinone (CHEBI:22580)
Citations