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Cartorimine

PropertiesImage
MNX_IDMNXM120301 Image of MNXM120301
referencechebi:174760
formulaC15H14O6
global charge0
mol weight290.271
InChIKeyIJGLRFRYPAUECC-UHFFFAOYSA-N
InChIInChI=1S/C15H14O6/c16-7-15-6-5-10(18)13(21-15)11(14(19)20)12(15)8-1-3-9(17)4-2-8/h1-6,11-13,16-17H,7H2,(H,19,20)
SMILESO=C1C=CC2(CO)OC1C(C(=O)O)C2C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C15H14O6/c16-7-15-6-5-10(18)13(21-15)11(14(19)20)12(15)8-1-3-9(17)4-2-8/h1-6,11-13,16-17H,7H2,(H,19,20)/t11?,12?,13?,15? Image of MNXM120301
SMILES (mnx)[CH:1]1=[CH:3][C:9]([OH:17])=[CH:4][CH:2]=[C:8]1[CH:12]1[CH:11]([C:14](=[O:19])[OH:20])[CH:13]2[C:10](=[O:18])[CH:5]=[CH:6][C:15]1([CH2:7][OH:16])[O:21]2
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:174760
chebi:174760
IJGLRFRYPAUECC-UHFFFAOYSA-N
Cartorimine
1-(hydroxymethyl)-7-(4-hydroxyphenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid
hmdb:HMDB0035399
IJGLRFRYPAUECC-UHFFFAOYSA-N
Cartorimine
1-(Hydroxymethyl)-7-(4-hydroxyphenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylate
1-(hydroxymethyl)-7-(4-hydroxyphenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid

hmdb:HMDB35399
secondary/obsolete/fantasy identifier