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CHEBI:39983 - 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL

Default Structure
ChEBI IDCHEBI:39983
ChEBI Name4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H24O3
Net Charge0
Average Mass276.376
Monoisotopic Mass276.17254
SMILES[H]Oc1c([H])c([H])c([C@@]2([H])OC([H])([H])[C@@]3(C([H])([H])O[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]2([H])[C@@]3([H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C17H24O3/c1-11-7-8-17(9-18)10-20-16(15(11)12(17)2)13-3-5-14(19)6-4-13/h3-6,11-12,15-16,18-19H,7-10H2,1-2H3/t11-,12+,15+,16+,17-/m0/s1
InChIKeyYMSZEVAWRFDVQX-GHVWTTSJSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL (CHEBI:39983) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[(1R,2S,5S,8S,9R)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-2-yl]phenolPDBeChem
4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOLPDBeChem
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459PDBeChem