EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215189 - Citreamicin theta B

ChEBI IDCHEBI:215189
ChEBI NameCitreamicin theta B
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)(CO)C(=O)O[C@@]1(C)C2
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-KYJUHHDHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces caelestis (ncbitaxon:36816) - PubMed (23203278)
ChEBI Ontology
Outgoing Relation(s)
Citreamicin theta B (CHEBI:215189) is a xanthones (CHEBI:51149)
IUPAC Name 
(7S,10S)-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
29215276ChemSpider