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CHEBI:199183 - 1-epi-nambinone B

ChEBI IDCHEBI:199183
ChEBI Name1-epi-nambinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC[C@H]1C[C@@H](O)[C@H](O)C2=CC(=O)[C@H]3[C@H](C3(C)CO)[C@@]21C
InChIInChI=1S/C15H22O4/c1-7-4-10(18)12(19)8-5-9(17)11-13(15(7,8)3)14(11,2)6-16/h5,7,10-13,16,18-19H,4,6H2,1-3H3/t7-,10+,11-,12+,13+,14?,15+/m0/s1
InChIKeyQYLGMYMTIYQVTL-DWLHXDFXSA-N
Species of MetaboliteComponentSourceComments
Neonothopanus nambi (ncbitaxon:71958) - DOI (10.1016/j.tet.2012.07.057)
ChEBI Ontology
Outgoing Relation(s)
1-epi-nambinone B (CHEBI:199183) has parent hydride aristolane (CHEBI:35784)
1-epi-nambinone B (CHEBI:199183) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aS,4R,5R,7S,7aS,7bS)-4,5-dihydroxy-1-(hydroxymethyl)-1,7,7a-trimethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one
Manual XrefsDatabases
78436468ChemSpider