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CHEBI:200525 - Neocitreamicin I

ChEBI IDCHEBI:200525
ChEBI NameNeocitreamicin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H31NO11
Net Charge0
Average Mass653.640
Monoisotopic Mass653.18971
SMILESCC(C)CC(C)C(=O)OCC1(C)C(=O)OC2(C)Cc3cc4ccc5c(c4c(O)c3C(=O)N21)C(=O)c1c(oc2ccc(O)cc2c1=O)C5=O
InChIInChI=1S/C36H31NO11/c1-15(2)10-16(3)33(44)46-14-35(4)34(45)48-36(5)13-18-11-17-6-8-20-25(23(17)29(41)24(18)32(43)37(35)36)30(42)26-27(39)21-12-19(38)7-9-22(21)47-31(26)28(20)40/h6-9,11-12,15-16,38,41H,10,13-14H2,1-5H3
InChIKeyUNURHVILKZGABN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (18776658)
ChEBI Ontology
Outgoing Relation(s)
Neocitreamicin I (CHEBI:200525) is a xanthones (CHEBI:51149)
IUPAC Name 
(3,24-dihydroxy-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(26),22,24-nonaen-7-yl)methyl 2,4-dimethylpentanoate
Manual XrefsDatabases
28285640ChemSpider