7-deoxyloganetic aldehyde (CHEBI:141989)

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ChEBI Name	7-deoxyloganetic aldehyde

ChEBI ID	CHEBI:141989

Definition	A cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a formyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C10H14O3

Net Charge

Average Mass

182.217

Monoisotopic Mass

182.09429

InChI

InChI=1S/C10H14O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h4-6,8-10,12H,2-3H2,1H3/t6-,8+,9+,10+/m0/s1

InChIKey

VWIYAPDYXJYDDI-JZKKDOLYSA-N

SMILES

[C@]12([C@@](C(=CO[C@H]1O)C=O)(CC[C@@H]2C)[H])[H]

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	7-deoxyloganetic aldehyde (CHEBI:141989) has functional parent 7-deoxyloganetic acid (CHEBI:77027) 7-deoxyloganetic aldehyde (CHEBI:141989) has role plant metabolite (CHEBI:76924) 7-deoxyloganetic aldehyde (CHEBI:141989) is a aldehyde (CHEBI:17478) 7-deoxyloganetic aldehyde (CHEBI:141989) is a cyclopentapyran (CHEBI:38606) 7-deoxyloganetic aldehyde (CHEBI:141989) is a iridoid monoterpenoid (CHEBI:50563) 7-deoxyloganetic aldehyde (CHEBI:141989) is a lactol (CHEBI:38131)

IUPAC Name

(1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde

Last Modified

14 September 2018