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CHEBI:213640 - Concanamycin B

ChEBI IDCHEBI:213640
ChEBI NameConcanamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H73NO14
Net Charge0
Average Mass852.072
Monoisotopic Mass851.50311
SMILESC/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C
InChIInChI=1S/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41-,42-,45-/m1/s1
InChIKeyAQXXGIBOZQZSAT-XDUMZDCNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7161199)
ChEBI Ontology
Outgoing Relation(s)
Concanamycin B (CHEBI:213640) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate
Manual XrefsDatabases
4944940ChemSpider