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7-deoxyloganetic aldehyde

MNXM6296 is deprecated and here replaced by MNXM738963
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738963

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₁₀H₁₄O₃

charge

mass

182.09429

reference

InChIKey

VWIYAPDYXJYDDI-JZKKDOLYSA-N

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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141989 chebi:141989	7-deoxyloganetic aldehyde (1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde iridotrial
seed.compound:cpd35731 seedM:cpd35731	(1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde 7-deoxyloganetic aldehyde iridotrial
metacyc.compound:CPD-16440 metacycM:CPD-16440	iridotrial (1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde 7-deoxyloganetic aldehyde
seedM:M_cpd35731	secondary/obsolete/fantasy identifier