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Artecanin

PropertiesImage
MNX_IDMNXM42686 Image of MNXM42686
referencechebi:2849
formulaC15H18O5
global charge0
mol weight278.304
InChIKeyKXLUWEYBZBGJRZ-SSISGLGMSA-N
InChIInChI=1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10-,11+,13+,14+,15-/m0/s1
SMILESC=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23
MNX internals
InChI (mnx)InChI=1/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10-,11+,13+,14+,15-/m0/s1 Image of MNXM42686
SMILES (mnx)[CH2:1]=[C:6]1[C@@H:7]2[CH2:4][CH2:5][C@@:13]([CH3:2])([OH:17])[C@:15]34[C@@H:9]([C@H:8]2[O:18][C:12]1=[O:16])[C@:14]1([CH3:3])[C@H:10]([C@H:11]3[O:20]4)[O:19]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

seed.compound:cpd06197
seedM:cpd06197
CHEBI:2849
chebi:2849
kegg.compound:C09302
keggC:C09302
KXLUWEYBZBGJRZ-SSISGLGMSA-N 		Artecanin
Chrysartemin B

keggC:M_C09302
seedM:M_cpd06197 		secondary/obsolete/fantasy identifier