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Iridotrial

MNXM6296 is deprecated and here replaced by MNXM1371972
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371972 Image of MNXM1371972
referencechebi:5968
formulaC10H14O3
global charge0
mol weight182.219
InChIKeyPFGBAVLSGZLAAY-JYPFKNLRSA-N
InChIInChI=1S/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-7,9-11H,2-3H2,1H3/b8-4+/t7-,9+,10+/m0/s1
SMILESC[C@H]1CC[C@H](/C(C=O)=C/O)[C@@H]1C=O
MNX internals
InChI (mnx)InChI=1/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-7,9-11H,2-3H2,1H3/b8-4+/t7-,9+,10+/m0/s1 Image of MNXM1371972
SMILES (mnx)[CH3:1][C@H:7]1[CH2:2][CH2:3][C@H:9](/[C:8](=[CH:4]/[OH:11])[CH:5]=[O:12])[C@@H:10]1[CH:6]=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5968
chebi:5968
kegg.compound:C06070
keggC:C06070
PFGBAVLSGZLAAY-JYPFKNLRSA-N 		Iridotrial
(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde

keggC:M_C06070 		secondary/obsolete/fantasy identifier