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CHEBI:221837 - Divergolide A

ChEBI IDCHEBI:221837
ChEBI NameDivergolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H39NO8
Net Charge0
Average Mass553.652
Monoisotopic Mass553.26757
SMILESCC[C@H]1/C=C/[C@@H](C(O)C=C(C)C)OC(=O)/C(C)=C\CC(=O)Nc2cc(O)cc3c2O[C@@]2(CC1)CC(=O)[C@@H](C)[C@@H]3O2
InChIInChI=1S/C31H39NO8/c1-6-20-8-9-26(24(34)13-17(2)3)38-30(37)18(4)7-10-27(36)32-23-15-21(33)14-22-28-19(5)25(35)16-31(39-28,12-11-20)40-29(22)23/h7-9,13-15,19-20,24,26,28,33-34H,6,10-12,16H2,1-5H3,(H,32,36)/b9-8+,18-7-/t19-,20+,24?,26+,28+,31+/m1/s1
InChIKeyNXQKNJIQGBLGMU-IJVCHWCPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21308920)
ChEBI Ontology
Outgoing Relation(s)
Divergolide A (CHEBI:221837) is a phenols (CHEBI:33853)
IUPAC Name 
(1S,4R,5E,7S,10Z,20S,21S)-4-ethyl-17-hydroxy-7-(1-hydroxy-3-methylbut-2-enyl)-10,21-dimethyl-8,24,26-trioxa-14-azatetracyclo[13.8.2.11,20.019,25]hexacosa-5,10,15,17,19(25)-pentaene-9,13,22-trione