EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:40170 - 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL

Default Structure
ChEBI IDCHEBI:40170
ChEBI Name4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H24O3
Net Charge0
Average Mass288.387
Monoisotopic Mass288.17254
SMILES[H]Oc1c([H])c([H])c([C@@]2([H])OC([H])([H])[C@]3(C([H])([H])O[H])[C@@]([H])(C([H])([H])[H])[C@@]2([H])C(C([H])([H])[H])=C([H])[C@]3([H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-4-6-15(20)7-5-14/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3/t12-,13-,16+,17+,18-/m0/s1
InChIKeyDTZWKYVREFMAJA-QXWBOSQLSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL (CHEBI:40170) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOLPDBeChem
4-[(1S,2S,5S,6S,9S)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenolPDBeChem
Manual XrefsDatabases
689PDBeChem