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CHEBI:182793 - (4Br,8aS)-3-hydroxy-4b,8,8-trimethyl-7-oxo-6,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid

ChEBI IDCHEBI:182793
ChEBI Name(4Br,8aS)-3-hydroxy-4b,8,8-trimethyl-7-oxo-6,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILES[H][C@]12CCc3cc(C(=O)O)c(O)cc3[C@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C18H22O4/c1-17(2)14-5-4-10-8-11(16(21)22)13(19)9-12(10)18(14,3)7-6-15(17)20/h8-9,14,19H,4-7H2,1-3H3,(H,21,22)/t14-,18+/m1/s1
InChIKeyLNZWVKJKDRIYFE-KDOFPFPSSA-N
ChEBI Ontology
Outgoing Relation(s)
(4Br,8aS)-3-hydroxy-4b,8,8-trimethyl-7-oxo-6,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid (CHEBI:182793) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4bR,8aS)-3-hydroxy-4b,8,8-trimethyl-7-oxo-6,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid