EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220591 - beta-Rubromycin

ChEBI IDCHEBI:220591
ChEBI Namebeta-Rubromycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H20O12
Net Charge0
Average Mass536.445
Monoisotopic Mass536.09548
SMILESCOC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@]1(CC3)CC2=C(O1)C(=O)c1c(O)c(OC)cc(OC)c1C2=O
InChIInChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1
InChIKeyFXCBZGHGMRSWJD-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Streptomyces collinus (ncbitaxon:42684) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
beta-Rubromycin (CHEBI:220591) is a chromenes (CHEBI:23232)
IUPAC Name 
methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[][1]benzouran]-7-carboxylate
Manual XrefsDatabases
4576519ChemSpider