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CHEBI:204084 - Citreamicin theta A

ChEBI IDCHEBI:204084
ChEBI NameCitreamicin theta A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H25NO11
Net Charge0
Average Mass575.526
Monoisotopic Mass575.14276
SMILESCOc1ccc2oc3c4c(c(O)c(O)c3c(=O)c2c1O)CCc1cc2c(c(O)c1-4)C(=O)N1[C@@](C)(C2)OC(=O)[C@]1(C)CO
InChIInChI=1S/C30H25NO11/c1-29(10-32)28(39)42-30(2)9-12-8-11-4-5-13-18(16(11)23(35)17(12)27(38)31(29)30)26-20(25(37)21(13)33)24(36)19-14(41-26)6-7-15(40-3)22(19)34/h6-8,32-35,37H,4-5,9-10H2,1-3H3/t29-,30+/m0/s1
InChIKeyCELAFVAJJRUNHZ-XZWHSSHBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces caelestis (ncbitaxon:36816) - PubMed (23203278)
ChEBI Ontology
Outgoing Relation(s)
Citreamicin theta A (CHEBI:204084) is a xanthones (CHEBI:51149)
IUPAC Name 
(7S,10R)-3,18,19,23-tetrahydroxy-7-(hydroxymethyl)-24-methoxy-7,10-dimethyl-9,28-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.020,29.022,27]nonacosa-1(17),2,4(12),13,18,20(29),22(27),23,25-nonaene-5,8,21-trione
Manual XrefsDatabases
29215277ChemSpider