CHEBI:93803 - (1R,4aR,4bS,7R,10aR)-7-ethenyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R,4aR,4bS,7R,10aR)-7-ethenyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
ChEBI ID CHEBI:93803
Stars This entity has been manually annotated by a third party.
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Formula C20H30O3
Net Charge 0
Average Mass 318.451
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-5-18(2)12-13-7-8-15-19(3,14(13)11-16(18)21)9-6-10-20(15,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)/t14-,15+,16?,18+,19+,20+/m0/s1
InChIKey UAXNLFQWKCSHGV-TXPIITFASA-N
SMILES C[C@]12CCC[C@@]([C@@H]1CCC3=C[C@@](C(C[C@H]23)O)(C)C=C)(C)C(=O)O
ChEBI Ontology
Outgoing (1R,4aR,4bS,7R,10aR)-7-ethenyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid (CHEBI:93803) is a diterpenoid (CHEBI:23849)
Manual Xref Database
LSM-4327 LINCS
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