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Herierin III

PropertiesImage
MNX_IDMNXM126431 Image of MNXM126431
referencechebi:173779
formulaC8H10O4
global charge0
mol weight170.164
InChIKeyFEEAMUNPZANTSE-UHFFFAOYSA-N
InChIInChI=1S/C8H10O4/c1-5-7(4-10)8(11)2-6(3-9)12-5/h2,9-10H,3-4H2,1H3
SMILESCC1=C(CO)C(=O)C=C(CO)O1
MNX internals
InChI (mnx)InChI=1/C8H10O4/c1-5-7(4-10)8(11)2-6(3-9)12-5/h2,9-10H,3-4H2,1H3 Image of MNXM126431
SMILES (mnx)[CH3:1][C:5]1=[C:7]([CH2:4][OH:10])[C:8](=[O:11])[CH:2]=[C:6]([CH2:3][OH:9])[O:12]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173779
chebi:173779
FEEAMUNPZANTSE-UHFFFAOYSA-N 		Herierin III
3,6-bis(hydroxymethyl)-2-methylpyran-4-one
hmdb:HMDB0038760
FEEAMUNPZANTSE-UHFFFAOYSA-N 		Herierin III
3,6-Bis(hydroxymethyl)-2-methyl-4H-pyran-4-one
3,6-bis(hydroxymethyl)-2-methyl-4H-pyran-4-one
3,6-bis(hydroxymethyl)-2-methylpyran-4-one
6-Methyl-2,5-dihydroxymethyl-gamma pyranone
6-Methyl-2,5-dihydroxymethyl-gamma-pyranone III

hmdb:HMDB38760 		secondary/obsolete/fantasy identifier