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CHEBI:221537 - Dehydrocitreaglycon A

ChEBI IDCHEBI:221537
ChEBI NameDehydrocitreaglycon A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H20O10
Net Charge0
Average Mass504.447
Monoisotopic Mass504.10565
SMILESCO[C@]1(C)Cc2cc3c(c(O)c2C(=O)O1)-c1c(cc2oc4ccc(C(=O)O)c(O)c4c(=O)c2c1O)CC3
InChIInChI=1S/C27H20O10/c1-27(35-2)9-12-7-10-3-4-11-8-15-20(23(30)17(11)16(10)22(29)18(12)26(34)37-27)24(31)19-14(36-15)6-5-13(21(19)28)25(32)33/h5-8,28-30H,3-4,9H2,1-2H3,(H,32,33)/t27-/m0/s1
InChIKeyVMTRONAGVWJCNB-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Streptomyces caelestis (ncbitaxon:36816) - PubMed (23203278)
ChEBI Ontology
Outgoing Relation(s)
Dehydrocitreaglycon A (CHEBI:221537) is a xanthones (CHEBI:51149)
IUPAC Name 
3,22,26-trihydroxy-7-methoxy-7-methyl-5,24-dioxo-6,17-dioxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(26),2,4(9),10,14,16(25),18(23),19,21-nonaene-21-carboxylic acid
Manual XrefsDatabases
29215279ChemSpider