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CHEBI:211929 - Isonanangenine D

ChEBI IDCHEBI:211929
ChEBI NameIsonanangenine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O6
Net Charge0
Average Mass408.535
Monoisotopic Mass408.25119
SMILESCCCCCCCC(=O)O[C@@H]1C=C2C(=O)OC[C@]2(O)[C@@]2(C)[C@H](O)CCC(C)(C)[C@H]12
InChIInChI=1S/C23H36O6/c1-5-6-7-8-9-10-18(25)29-16-13-15-20(26)28-14-23(15,27)22(4)17(24)11-12-21(2,3)19(16)22/h13,16-17,19,24,27H,5-12,14H2,1-4H3/t16-,17-,19+,22+,23-/m1/s1
InChIKeyGHHVNQCISPLABX-AZQRIICFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nanangensis (ncbitaxon:2582783) - PubMed (31807198)
ChEBI Ontology
Outgoing Relation(s)
Isonanangenine D (CHEBI:211929) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9R,9aR,9bS)-9,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] octanoate