EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211915 - Nanangenine H

ChEBI IDCHEBI:211915
ChEBI NameNanangenine H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESCCCCCC(=O)O[C@@H]1C=C2[C@H](OC)OC[C@]2(O)[C@@]2(C)[C@H](O)CCC(C)(C)[C@H]12
InChIInChI=1S/C22H36O6/c1-6-7-8-9-17(24)28-15-12-14-19(26-5)27-13-22(14,25)21(4)16(23)10-11-20(2,3)18(15)21/h12,15-16,18-19,23,25H,6-11,13H2,1-5H3/t15-,16-,18+,19-,21+,22-/m1/s1
InChIKeyXPKRYPSOFXPZSA-RPVUOXGTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nanangensis (ncbitaxon:2582783) - PubMed (31807198)
ChEBI Ontology
Outgoing Relation(s)
Nanangenine H (CHEBI:211915) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(3R,5R,5aS,9R,9aR,9bS)-9,9b-dihydroxy-3-methoxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] hexanoate
Manual XrefsDatabases
103835332ChemSpider