CHEBI:166676 - Valerenal

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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 Valerenal
ChEBI ID CHEBI:166676
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H22O
Net Charge 0
Average Mass 218.340
Monoisotopic Mass 218.16707
InChI InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1
InChIKey RJZWGDPBGWGJNU-MTXIQXFFSA-N
SMILES O=C\C(=C\[C@H]1C=2[C@@]([C@@H](CC1)C)(CCC2C)[H])\C
ChEBI Ontology
Outgoing Valerenal (CHEBI:166676) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal
Manual Xref Database
4945178 ChemSpider
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Registry Number Type Source
4176-16-3 CAS Registry Number ChemIDplus