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CHEBI:138167 - 5-hydroxy-α-gurjunene

ChEBI IDCHEBI:138167
ChEBI Name5-hydroxy-α-gurjunene
Stars
ASCII Name5-hydroxy-alpha-gurjunene
DefinitionA tricyclic sesquiterpenoid obtained by formal hydration across the endocyclic double bond of (−)-α-gurjunene
Last Modified24 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@@]12C(C)(C)[C@]1([H])CC[C@@H](C)[C@@]1([H])CCC(C)C21O
InChIInChI=1S/C15H26O/c1-9-5-7-12-13(14(12,3)4)15(16)10(2)6-8-11(9)15/h9-13,16H,5-8H2,1-4H3/t9-,10?,11-,12-,13+,15?/m1/s1
InChIKeyOHFMYRJCMYNZKO-KUKPGQNJSA-N
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-α-gurjunene (CHEBI:138167) has functional parent (−)-α-gurjunene (CHEBI:61699)
5-hydroxy-α-gurjunene (CHEBI:138167) is a carbotricyclic compound (CHEBI:38032)
5-hydroxy-α-gurjunene (CHEBI:138167) is a sesquiterpenoid (CHEBI:26658)
5-hydroxy-α-gurjunene (CHEBI:138167) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyldecahydro-7aH-cyclopropa[e]azulen-7a-ol
UniProt Name  Source
5-hydroxy-α-gurjuneneUniProt
Manual XrefsDatabases
CPD-20252MetaCyc
Citations