Search MNXref
 Feedback

(-)-(alphaR,betaR)-guaiacylglycerol-beta-guaiacyl ether

PropertiesImage
MNX_IDMNXM13438 Image of MNXM13438
referencemetacycM:CPD-11869
formulaC17H20O6
global charge0
mol weight320.341
InChIKeyPPZSOILKWHVNNS-IAGOWNOFSA-N
InChIInChI=1S/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3/t16-,17-/m1/s1
SMILESCOC1=C(O)C=CC([C@@H](O)[C@@H](CO)OC2=C(OC)C=CC=C2)=C1
MNX internals
InChI (mnx)InChI=1/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3/t16-,17-/m1/s1 Image of MNXM13438
SMILES (mnx)[CH3:1][O:21][C:13]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:14]1[O:23][C@H:16]([CH2:10][OH:18])[C@@H:17]([C:11]1=[CH:9][C:15]([O:22][CH3:2])=[C:12]([OH:19])[CH:8]=[CH:7]1)[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11869
metacycM:CPD-11869
PPZSOILKWHVNNS-IAGOWNOFSA-N
(-)-(alphaR,betaR)-guaiacylglycerol-beta-guaiacyl ether
(-)-(alphaR,betaR)-GGE

seed.compound:cpd23118
seedM:cpd23118
PPZSOILKWHVNNS-IAGOWNOFSA-N
(-)-(alphaR,betaR)-GGE
(-)-(alphaR,betaR)-guaiacylglycerol-beta-guaiacyl ether

seedM:M_cpd23118
secondary/obsolete/fantasy identifier