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CHEBI:219494 - Citreamicin beta

ChEBI IDCHEBI:219494
ChEBI NameCitreamicin beta
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H29NO12
Net Charge0
Average Mass655.612
Monoisotopic Mass655.16898
SMILESCOc1cc2oc3c(c(=O)c2cc1OC)C(=O)c1c(ccc2cc4c(c(O)c12)C(=O)N1C(C)(C4)OC(=O)C1(C)COC(=O)C(C)C)C3=O
InChIInChI=1S/C35H29NO12/c1-14(2)32(42)46-13-34(3)33(43)48-35(4)12-16-9-15-7-8-17-24(22(15)28(39)23(16)31(41)36(34)35)29(40)25-26(37)18-10-20(44-5)21(45-6)11-19(18)47-30(25)27(17)38/h7-11,14,39H,12-13H2,1-6H3
InChIKeyZUZCCBDSIBRLQK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Micromonospora citrea (ncbitaxon:47855) - PubMed (2358403)
ChEBI Ontology
Outgoing Relation(s)
Citreamicin beta (CHEBI:219494) is a xanthones (CHEBI:51149)
IUPAC Name 
(3-hydroxy-23,24-dimethoxy-7,10-dimethyl-5,8,18,27,29-pentaoxo-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaen-7-yl)methyl 2-methylpropanoate
Manual XrefsDatabases
2340416ChemSpider