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CHEBI:224236 - Rubromycin CA2

ChEBI IDCHEBI:224236
ChEBI NameRubromycin CA2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H16O13
Net Charge0
Average Mass524.390
Monoisotopic Mass524.05909
SMILESCOC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@@]1(CCc2cc4cc(C(=O)O)oc(=O)c4c(O)c2O1)[C@H]3O
InChIInChI=1S/C25H16O13/c1-35-10-6-9(26)13-14(16(10)27)19(30)21-15(17(13)28)22(31)25(38-21)3-2-7-4-8-5-11(23(32)33)36-24(34)12(8)18(29)20(7)37-25/h4-6,22,28-31H,2-3H2,1H3,(H,32,33)/t22-,25-/m0/s1
InChIKeyVQSTXOFHKBFYAU-DHLKQENFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31181919)
ChEBI Ontology
Outgoing Relation(s)
Rubromycin CA2 (CHEBI:224236) is a chromenes (CHEBI:23232)
IUPAC Name 
(2S,3'S)-3',4',9',10-tetrahydroxy-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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76712488ChemSpider