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CHEBI:224231 - Rubromycin CA1

ChEBI IDCHEBI:224231
ChEBI NameRubromycin CA1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H16O12
Net Charge0
Average Mass508.391
Monoisotopic Mass508.06418
SMILESCOC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@@]1(CCc2cc4cc(C(=O)O)oc(=O)c4c(O)c2O1)C3
InChIInChI=1S/C25H16O12/c1-34-12-6-11(26)15-16(18(12)28)20(30)22-10(17(15)27)7-25(37-22)3-2-8-4-9-5-13(23(31)32)35-24(33)14(9)19(29)21(8)36-25/h4-6,27,29-30H,2-3,7H2,1H3,(H,31,32)/t25-/m0/s1
InChIKeyGHHJAJPNICHJLZ-VWLOTQADSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31181919)
ChEBI Ontology
Outgoing Relation(s)
Rubromycin CA1 (CHEBI:224231) is a chromenes (CHEBI:23232)
IUPAC Name 
(2S)-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[][1]benzouran]-7-carboxylic acid
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76712487ChemSpider