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CHEBI:223753 - Noboritomycin A

ChEBI IDCHEBI:223753
ChEBI NameNoboritomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H64O14
Net Charge0
Average Mass804.971
Monoisotopic Mass804.42961
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(C)c(O)c3C(=O)O)[C@@H](C)C[C@H]4C)[C@H](C)[C@H]2OC)C[C@H]1O
InChIInChI=1S/C43H64O14/c1-12-53-40(51)37-29(44)19-31(54-37)41(10)38(52-11)27(9)43(56-41)30(45)15-16-42(57-43)24(6)18-23(5)36(55-42)26(8)35(48)25(7)33(46)22(4)17-21(3)28-14-13-20(2)34(47)32(28)39(49)50/h13-16,21-27,29-31,33,36-38,44-47H,12,17-19H2,1-11H3,(H,49,50)/t21-,22+,23-,24+,25-,26-,27+,29+,30+,31+,33-,36-,37-,38+,41-,42-,43-/m0/s1
InChIKeyHENKHDHCZSYXMA-YLHLCEQLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (711624)
ChEBI Ontology
Outgoing Relation(s)
Noboritomycin A (CHEBI:223753) 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]-2-hydroxy-3-methylbenzoic acid
Manual XrefsDatabases
78443130ChemSpider