CHEBI:201622 - Secolongifolenediol

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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 Secolongifolenediol
ChEBI ID CHEBI:201622
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26O2
Net Charge 0
Average Mass 238.371
Monoisotopic Mass 238.19328
InChI InChI=1S/C15H26O2/c1-14(2)6-4-7-15(3)11(10-17)9-13(14)12(15)5-8-16/h9,12-13,16-17H,4-8,10H2,1-3H3
InChIKey RYUMBZJZMMNHTP-UHFFFAOYSA-N
SMILES OCC1=CC2C(CCCC1(C2CCO)C)(C)C
ChEBI Ontology
Outgoing Secolongifolenediol (CHEBI:201622) is a primary alcohol (CHEBI:15734)
IUPAC Name
2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol
Manual Xref Database
29213091 ChemSpider
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