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CHEBI:207943 - Divergolide U

ChEBI IDCHEBI:207943
ChEBI NameDivergolide U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37NO8
Net Charge0
Average Mass551.636
Monoisotopic Mass551.25192
SMILESCC[C@H]1/C=C/[C@H](O)[C@H](CC(C)C)OC(=O)/C(C)=C\[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O
InChIInChI=1S/C31H37NO8/c1-6-18-7-9-21(33)24(11-15(2)3)40-30(38)17(5)13-20-29(37)32-25-14-23(35)26-19(31(20,25)39)12-16(4)28(36)27(26)22(34)10-8-18/h7,9,12-15,18,20-21,24,33,36,39H,6,8,10-11H2,1-5H3,(H,32,37)/b9-7+,17-13-/t18-,20-,21-,24-,31-/m0/s1
InChIKeyZVOCJOZEMKTQEZ-ROHQPZTNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30978939)
ChEBI Ontology
Outgoing Relation(s)
Divergolide U (CHEBI:207943) is a azamacrocycle (CHEBI:52898)
Divergolide U (CHEBI:207943) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(9R,10E,12S,13S,16Z,18R,25R)-9-ethyl-4,12,25-trihydroxy-3,16-dimethyl-13-(2-methylpropyl)-14-oxa-20-azatetracyclo[16.6.1.05,24.021,25]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone
Manual XrefsDatabases
72092681ChemSpider