CHEBI:174341 - Piperalol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Piperalol
ChEBI ID CHEBI:174341
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O3
Net Charge 0
Average Mass 252.354
Monoisotopic Mass 252.17254
InChI InChI=1S/C15H24O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7,9,11-14,17-18H,5-6,8H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1
InChIKey MABZIKXHSLOMDZ-OMRNGCIESA-N
SMILES O[C@H]1[C@]2([C@](CC(C2)(C)C)([C@H](C=C([C@@H]1CO)C=O)C)[H])[H]
ChEBI Ontology
Outgoing Piperalol (CHEBI:174341) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3aR,4S,5R,8R,8aR)-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehyde
Manual Xref Database
68026528 ChemSpider
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