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CHEBI:220350 - alpha-Rubromycin

ChEBI IDCHEBI:220350
ChEBI Namealpha-Rubromycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H20O12
Net Charge0
Average Mass536.445
Monoisotopic Mass536.09548
SMILESCOC(=O)c1cc2cc(CCc3cc4c(o3)C(=O)c3c(O)c(OC)cc(OC)c3C4=O)c(O)c(O)c2c(=O)o1
InChIInChI=1S/C27H20O12/c1-35-14-9-15(36-2)22(30)19-18(14)21(29)13-8-12(38-25(13)24(19)32)5-4-10-6-11-7-16(26(33)37-3)39-27(34)17(11)23(31)20(10)28/h6-9,28,30-31H,4-5H2,1-3H3
InChIKeyLQNGOIZVRFNQLO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces collinus (ncbitaxon:42684) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
alpha-Rubromycin (CHEBI:220350) is a naphthofuran (CHEBI:39270)
IUPAC Name 
methyl 7,8-dihydroxy-6-[2-(8-hydroxy-5,7-dimethoxy-4,9-dioxobenzo[][1]benzouran-2-yl)ethyl]-1-oxoisochromene-3-carboxylate
Manual XrefsDatabases
4527173ChemSpider