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CHEBI:207937 - Divergolide T

ChEBI IDCHEBI:207937
ChEBI NameDivergolide T
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37NO7
Net Charge0
Average Mass535.637
Monoisotopic Mass535.25700
SMILESCC[C@H]1/C=C/C[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/C31H37NO7/c1-6-19-8-7-9-20(12-16(2)3)39-30(37)18(5)14-22-29(36)32-25-15-24(34)26-21(31(22,25)38)13-17(4)28(35)27(26)23(33)11-10-19/h7-8,13-16,19-20,22,35,38H,6,9-12H2,1-5H3,(H,32,36)/b8-7+,18-14-/t19-,20+,22-,31-/m0/s1
InChIKeyXVZBBQXWAQFOEC-DOZSOBCQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30978939)
ChEBI Ontology
Outgoing Relation(s)
Divergolide T (CHEBI:207937) is a azamacrocycle (CHEBI:52898)
Divergolide T (CHEBI:207937) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(9R,10E,13S,16Z,18R,25R)-9-ethyl-4,25-dihydroxy-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
72092680ChemSpider