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CHEBI:181096 - (5alpha,8alpha,9R,10beta)-15,16-Epoxycleroda-3,13(16),14-trien-17-oic acid

ChEBI IDCHEBI:181096
ChEBI Name(5alpha,8alpha,9R,10beta)-15,16-Epoxycleroda-3,13(16),14-trien-17-oic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CCc1ccoc1
InChIInChI=1S/C20H28O3/c1-14-5-4-6-17-19(14,2)11-8-16(18(21)22)20(17,3)10-7-15-9-12-23-13-15/h5,9,12-13,16-17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,19-,20-/m0/s1
InChIKeyKQFDQVMJLKUUDA-ZULIPRJHSA-N
ChEBI Ontology
Outgoing Relation(s)
(5alpha,8alpha,9R,10beta)-15,16-Epoxycleroda-3,13(16),14-trien-17-oic acid (CHEBI:181096) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,4aR,8aR)-1-[2-(uran-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-2-carboxylic acid
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