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CHEBI:200933 - JBIR-90

ChEBI IDCHEBI:200933
ChEBI NameJBIR-90
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O7
Net Charge0
Average Mass436.460
Monoisotopic Mass436.15220
SMILESC[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2ccc([C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)c(O)c2C3=O)C1
InChIInChI=1S/C25H24O7/c1-10-7-12-3-4-14-20(19(12)16(26)8-10)24(30)15-6-5-13(23(29)21(15)25(14)31)18-9-17(27)22(28)11(2)32-18/h3-6,10-11,17-18,22,27-29H,7-9H2,1-2H3/t10-,11+,17+,18+,22+/m0/s1
InChIKeyUGXVRYOFBKKCJN-LDLLTESOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21326253)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
JBIR-90 (CHEBI:200933) is a angucycline (CHEBI:48130)
IUPAC Name 
(3S)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78441886ChemSpider