Search MNXref
 Feedback

Calaxin

PropertiesImage
MNX_IDMNXM45202 Image of MNXM45202
referencechebi:3302
formulaC19H20O6
global charge0
mol weight344.363
InChIKeyRYBHZNMPMHOBAR-IRNKKCRZSA-N
InChIInChI=1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14-,16+,19-/m1/s1
SMILESC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)/C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]21
MNX internals
InChI (mnx)InChI=1/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14-,16+,19-/m1/s1 Image of MNXM45202
SMILES (mnx)[CH2:1]=[C:9]([CH3:2])[C:17](=[O:21])[O:24][C@@H:14]1[CH2:8][C@:19]2([CH3:5])[C:15](=[O:20])[CH:7]=[C:12](/[C:10]([CH3:3])=[CH:6]\[C@@H:13]3[C@@H:16]1[C:11](=[CH2:4])[C:18](=[O:22])[O:23]3)[O:25]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

seed.compound:cpd06248
seedM:cpd06248
CHEBI:3302
chebi:3302
kegg.compound:C09353
keggC:C09353
RYBHZNMPMHOBAR-IRNKKCRZSA-N 		Calaxin

keggC:M_C09353
seedM:M_cpd06248 		secondary/obsolete/fantasy identifier