7-deoxyloganetic acid (CHEBI:77027)

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ChEBI Name	7-deoxyloganetic acid

ChEBI ID	CHEBI:77027

Definition	An iridoid monoterpenoid that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by hydroxy and methyl groups respectively; the aglycone of 7-deoxyloganic acid.

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

Supplier Information

Download	Molfile XML SDF

Formula

C10H14O4

Net Charge

Average Mass

198.21580

Monoisotopic Mass

198.08921

InChI

InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1

InChIKey

DKGYTSKPMLWLEI-FIZOKRMRSA-N

SMILES

C[C@H]1CC[C@H]2[C@@H]1[C@H](O)OC=C2C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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 acid (CHEBI:77027) has role plant metabolite (CHEBI:76924) 7-deoxyloganetic acid (CHEBI:77027) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) 7-deoxyloganetic acid (CHEBI:77027) is a cyclopentapyran (CHEBI:38606) 7-deoxyloganetic acid (CHEBI:77027) is a iridoid monoterpenoid (CHEBI:50563) 7-deoxyloganetic acid (CHEBI:77027) is conjugate acid of 7-deoxyloganetate (CHEBI:76846)

Incoming	7-deoxyloganetic alcohol (CHEBI:141988) has functional parent 7-deoxyloganetic acid (CHEBI:77027) 7-deoxyloganetic aldehyde (CHEBI:141989) has functional parent 7-deoxyloganetic acid (CHEBI:77027) 7-deoxyloganetin (CHEBI:76849) has functional parent 7-deoxyloganetic acid (CHEBI:77027) 7-deoxyloganic acid (CHEBI:2260) has functional parent 7-deoxyloganetic acid (CHEBI:77027) 7-deoxyloganetate (CHEBI:76846) is conjugate base of 7-deoxyloganetic acid (CHEBI:77027)

IUPAC Name

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

Last Modified

13 September 2018