CHEBI:69185 - JBIR-85

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name JBIR-85
ChEBI ID CHEBI:69185
Definition A natural product found in Streptomyces species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H20O10
Net Charge 0
Average Mass 444.38820
Monoisotopic Mass 444.10565
InChI InChI=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
InChIKey WMHYXAXGNZAMDO-AHIRLFQDSA-N
SMILES [H][C@@]12C[C@@H](C(C)=O)[C@@]34C[C@]1([H])[C@@](OC)(C(=O)O2)C(O)=C3C(=O)c1c(O)cc(OC)c(O)c1C4=O
Metabolite of Species Details
Streptomyces sp. (NCBI:txid1931) Found in mycelium (BTO:0001436). Me2CO extract of mycelial cake of strain RI 77 See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing JBIR-85 (CHEBI:69185) has role metabolite (CHEBI:25212)
JBIR-85 (CHEBI:69185) is a anthraquinone (CHEBI:22580)
Citation Waiting for Citations Type Source
22145663 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:tetralins(CHEBI:36786); ISA:naphthalenes(CHEBI:25477); ISA:benzenetriol(CHEBI:22707); ISA:quinone(CHEBI:36141); ISA:aromatic ketone(CHEBI:76224); ISA:hydroquinones(CHEBI:24646); ISA:aromatic ether(CHEBI:35618); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854);