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CHEBI:223749 - Noboritomycin B

ChEBI IDCHEBI:223749
ChEBI NameNoboritomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H66O14
Net Charge0
Average Mass818.998
Monoisotopic Mass818.44526
SMILESCCOC(=O)[C@H]1O[C@@H]([C@]2(C)O[C@]3(O[C@]4(C=C[C@H]3O)O[C@H]([C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)c3ccc(CC)c(O)c3C(=O)O)[C@@H](C)C[C@H]4C)[C@H](C)[C@H]2OC)C[C@H]1O
InChIInChI=1S/C44H66O14/c1-12-28-14-15-29(33(36(28)49)40(50)51)21(3)18-22(4)34(47)25(7)35(48)26(8)37-23(5)19-24(6)43(56-37)17-16-31(46)44(58-43)27(9)39(53-11)42(10,57-44)32-20-30(45)38(55-32)41(52)54-13-2/h14-17,21-27,30-32,34,37-39,45-47,49H,12-13,18-20H2,1-11H3,(H,50,51)/t21-,22+,23-,24+,25-,26-,27+,30+,31+,32+,34-,37-,38-,39+,42-,43-,44-/m0/s1
InChIKeyAFGBEDQMTFPVJS-NONQZKDXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (711624)
ChEBI Ontology
Outgoing Relation(s)
Noboritomycin B (CHEBI:223749) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
6-[(2S,4R,5S,6S,8R)-8-[(1R,2R,3S,5S,7R,9S,10S,12R,15R)-3-[(2R,4R,5S)-5-ethoxycarbonyl-4-hydroxyoxolan-2-yl]-15-hydroxy-2-methoxy-1,3,10,12-tetramethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-3-ethyl-2-hydroxybenzoic acid
Manual XrefsDatabases
78443129ChemSpider