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Coleone A

PropertiesImage
MNX_IDMNXM47500 Image of MNXM47500
referencechebi:3812
formulaC20H22O6
global charge0
mol weight358.39
InChIKeyWKRCSOAPKREAOF-GFOWMXPYSA-N
InChIInChI=1S/C20H22O6/c1-6-7-20(5)13-9(4)11-12(17(24)18(13)26-19(20)25)14(21)10(8(2)3)15(22)16(11)23/h6,8,19,22,24-25H,1,7H2,2-5H3/t19?,20-/m1/s1
SMILESC=CC[C@]1(C)C2=C(OC1O)C(O)=C1C(=O)C(C(C)C)=C(O)C(=O)C1=C2C
MNX internals
InChI (mnx)InChI=1/C20H22O6/c1-6-7-20(5)13-9(4)11-12(17(24)18(13)26-19(20)25)14(21)10(8(2)3)15(22)16(11)23/h6,8,19,22,24-25H,1,7H2,2-5H3/t19?,20-/m1/s1 Image of MNXM47500
SMILES (mnx)[CH2:1]=[CH:6][CH2:7][C@:20]1([CH3:5])[C:13]2=[C:18]([C:17]([OH:24])=[C:12]3[C:11](=[C:9]2[CH3:4])[C:16](=[O:23])[C:15]([OH:22])=[C:10]([CH:8]([CH3:2])[CH3:3])[C:14]3=[O:21])[O:26][CH:19]1[OH:25]
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:cpd07206
seedM:cpd07206
CHEBI:3812
chebi:3812
kegg.compound:C10317
keggC:C10317
WKRCSOAPKREAOF-GFOWMXPYSA-M
WKRCSOAPKREAOF-GFOWMXPYSA-N 		Coleone A

keggC:M_C10317
seedM:M_cpd07206 		secondary/obsolete/fantasy identifier