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CHEBI:214755 - Neocitreamicin II

ChEBI IDCHEBI:214755
ChEBI NameNeocitreamicin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H43NO15
Net Charge0
Average Mass825.820
Monoisotopic Mass825.26327
SMILESCC(=O)O[C@@H]1[C@H](O)C[C@H](Oc2ccc3oc4c(c(=O)c3c2)C(=O)c2c(ccc3cc5c(c(O)c23)C(=O)N2C(C)(C5)OC(=O)C2(C)COC(=O)C(C)CC(C)C)C4=O)O[C@@H]1C
InChIInChI=1S/C44H43NO15/c1-18(2)12-19(3)41(53)55-17-43(6)42(54)60-44(7)16-23-13-22-8-10-25-32(30(22)36(50)31(23)40(52)45(43)44)37(51)33-34(48)26-14-24(9-11-28(26)59-39(33)35(25)49)58-29-15-27(47)38(20(4)56-29)57-21(5)46/h8-11,13-14,18-20,27,29,38,47,50H,12,15-17H2,1-7H3/t19?,20-,27-,29+,38+,43?,44?/m1/s1
InChIKeyHANXLOSIBLXXKD-WXWIVTJVSA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies (ncbitaxon:1821) - PubMed (18776658)
ChEBI Ontology
Outgoing Relation(s)
Neocitreamicin II (CHEBI:214755) is a benzochromenone (CHEBI:64986)
Neocitreamicin II (CHEBI:214755) is a glycoside (CHEBI:24400)
IUPAC Name 
[24-[(2S,4R,5R,6R)-5-acetyloxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-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
78445525ChemSpider