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CHEBI:218107 - Divergolide K

ChEBI IDCHEBI:218107
ChEBI NameDivergolide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37NO9
Net Charge0
Average Mass567.635
Monoisotopic Mass567.24683
SMILESCC[C@H]1/C=C/[C@H](O)[C@H](CC(C)(C)O)OC(=O)[C@]2(C)CCC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O
InChIInChI=1S/C31H37NO9/c1-6-16-7-9-18(33)20(14-30(3,4)40)41-29(39)31(5)12-11-21(35)32-25-24(31)28(38)22-17(27(25)37)13-15(2)26(36)23(22)19(34)10-8-16/h7,9,13,16,18,20,33,36,40H,6,8,10-12,14H2,1-5H3,(H,32,35)/b9-7+/t16-,18-,20-,31+/m0/s1
InChIKeyVIQGILUWSGBCNA-KSWNILTQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2017.11.069)
Streptomycesspecies (ncbitaxon:1931) - PubMed (25464499)
ChEBI Ontology
Outgoing Relation(s)
Divergolide K (CHEBI:218107) is a azamacrocycle (CHEBI:52898)
Divergolide K (CHEBI:218107) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Names 
(9R,10E,12S,13S,16R)-9-ethyl-4,12-dihydroxy-13-(2-hydroxy-2-methylpropyl)-3,16-dimethyl-14-oxa-20-azatetracyclo[19.3.1.05,24.016,22]pentacosa-1(24),2,4,10,21-pentaene-6,15,19,23,25-pentone
(9R,10E,12S,13S,16S)-9-ethyl-4,12-dihydroxy-13-(2-hydroxy-2-methylpropyl)-3,16-dimethyl-14-oxa-20-azatetracyclo[19.3.1.05,24.016,22]pentacosa-1(24),2,4,10,21-pentaene-6,15,19,23,25-pentone
Manual XrefsDatabases
62934200ChemSpider
35516746ChemSpider