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CHEBI:41426 - (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid

Default Structure
ChEBI IDCHEBI:41426
ChEBI Name(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid
Stars
DownloadsMolfile
FormulaC16H22O6
Net Charge0
Average Mass310.346
Monoisotopic Mass310.14164
SMILES[H]OC(=O)[C@]1(O[H])C([H])([H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])Oc2c([H])c([H])c([H])c([H])c2[H])[C@@]([H])(O[H])[C@]([H])(O[H])C1([H])[H]
InChIInChI=1S/C16H22O6/c17-13-10-16(21,15(19)20)9-11(14(13)18)5-4-8-22-12-6-2-1-3-7-12/h1-3,6-7,11,13-14,17-18,21H,4-5,8-10H2,(H,19,20)/t11-,13+,14+,16-/m0/s1
InChIKeySCUFESRLGCQXRX-DCDXPUDHSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid (CHEBI:41426) is a unclassifieds (CHEBI:27189)
Synonym  Source
(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acidPDBeChem
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CA2PDBeChem