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CHEBI:211909 - Nanangenine G

ChEBI IDCHEBI:211909
ChEBI NameNanangenine G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O6
Net Charge0
Average Mass384.513
Monoisotopic Mass384.25119
SMILESCCCCCC(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)[C@H](O)CCC(C)(C)[C@H]12
InChIInChI=1S/C21H36O6/c1-5-6-7-8-17(25)27-15-11-14(12-22)21(26,13-23)20(4)16(24)9-10-19(2,3)18(15)20/h11,15-16,18,22-24,26H,5-10,12-13H2,1-4H3/t15-,16-,18+,20+,21-/m1/s1
InChIKeyPBKUOHTZGOWWBK-XDISJUHXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nanangensis (ncbitaxon:2582783) - PubMed (31807198)
ChEBI Ontology
Outgoing Relation(s)
Nanangenine G (CHEBI:211909) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1R,4R,4aR,5R,8aS)-4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoate
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109107943ChemSpider