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CHEBI:181971 - (1S,4aR,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

ChEBI IDCHEBI:181971
ChEBI Name(1S,4aR,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12CCC3=CC(C)(C=C)CCC3[C@@]1(C)CCC[C@]2(C)C(=O)O
InChIInChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15?,16-,18?,19-,20+/m1/s1
InChIKeyMHVJRKBZMUDEEV-KGQMWYBFSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,4aR,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid (CHEBI:181971) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,4aR,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
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