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CHEBI:221845 - Divergolide B

ChEBI IDCHEBI:221845
ChEBI NameDivergolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37NO7
Net Charge0
Average Mass535.637
Monoisotopic Mass535.25700
SMILESCC[C@H]1C=C[C@H](O)[C@H](C=C(C)C)OC(=O)/C(C)=C/CC(=O)Nc2cc(O)cc3c2O/C(=C\C(=O)CC1)C(C)=C3
InChIInChI=1S/C31H37NO7/c1-6-21-8-10-23(33)17-27-20(5)14-22-15-24(34)16-25(30(22)38-27)32-29(36)12-7-19(4)31(37)39-28(13-18(2)3)26(35)11-9-21/h7,9,11,13-17,21,26,28,34-35H,6,8,10,12H2,1-5H3,(H,32,36)/b11-9?,19-7+,27-17-/t21-,26+,28+/m1/s1
InChIKeyGGEGLRHQJXGBSH-CCSZFJTGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21308920)
ChEBI Ontology
Outgoing Relation(s)
Divergolide B (CHEBI:221845) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(5E,9S,10S,13R,17Z)-13-ethyl-10,23-dihydroxy-6,19-dimethyl-9-(2-methylprop-1-enyl)-8,26-dioxa-2-azatricyclo[16.6.2.021,25]hexacosa-1(24),5,11,17,19,21(25),22-heptaene-3,7,16-trione