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CHEBI:221851 - Divergolide D

ChEBI IDCHEBI:221851
ChEBI NameDivergolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H35NO8
Net Charge0
Average Mass549.620
Monoisotopic Mass549.23627
SMILESCC[C@H]1/C=C\[C@@H]([C@@H](O)C=C(C)C)OC(=O)/C(C)=C\[C@@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(C=O)C1)[C@@]32O
InChIInChI=1S/C31H35NO8/c1-6-18-7-8-24(22(34)9-15(2)3)40-30(38)17(5)11-21-29(37)32-25-13-23(35)27-20(31(21,25)39)10-16(4)28(36)26(27)19(12-18)14-33/h7-11,13-14,18-19,21-22,24,34,36,39H,6,12H2,1-5H3,(H,32,37)/b8-7-,17-11-/t18-,19?,21+,22-,24-,31-/m0/s1
InChIKeyASAGMZGWISYATO-LXXPWVPZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21308920)
ChEBI Ontology
Outgoing Relation(s)
Divergolide D (CHEBI:221851) is a azamacrocycle (CHEBI:52898)
Divergolide D (CHEBI:221851) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(8R,9Z,11S,14Z,16S,23R)-8-ethyl-4,23-dihydroxy-11-[(1S)-1-hydroxy-3-methylbut-2-enyl]-3,14-dimethyl-13,17,21-trioxo-12-oxa-18-azatetracyclo[14.6.1.05,22.019,23]tricosa-1(22),2,4,9,14,19-hexaene-6-carbaldehyde