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CHEBI:226830 - Divergolide H

ChEBI IDCHEBI:226830
ChEBI NameDivergolide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H39NO8
Net Charge0
Average Mass553.652
Monoisotopic Mass553.26757
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@@]2(CC1)CC(=O)[C@@H](C)[C@@H]3O2
InChIInChI=1S/C31H39NO8/c1-6-20-8-9-24(34)26(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
InChIKeyMRCMMMXXIJRTQN-FJUYLEQASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (24867126)
ChEBI Ontology
Outgoing Relation(s)
Divergolide H (CHEBI:226830) is a azamacrocycle (CHEBI:52898)
Divergolide H (CHEBI:226830) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,4R,7S,8S,11E,21S,22S)-4-ethyl-7,18-dihydroxy-11,22-dimethyl-8-(2-methylprop-1-enyl)-9,25,27-trioxa-15-azatetracyclo[14.8.2.11,21.020,26]heptacosa-5,11,16,18,20(26)-pentaene-10,14,23-trione