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Sesamolinol

MNXM725423 is deprecated and here replaced by MNXM739847
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739847 Image of MNXM739847
referencechebi:9127
formulaC20H20O7
global charge0
mol weight372.373
InChIKeyOJVGWDJIYBTWDS-AFHBHXEDSA-N
InChIInChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1
SMILESCOC1=C(O)C=CC(O[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C2=CC=C3OCOC3=C2)=C1
MNX internals
InChI (mnx)InChI=1/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1 Image of MNXM739847
SMILES (mnx)[CH3:1][O:22][C:17]1=[C:15]([OH:21])[CH:4]=[CH:3][C:12]([O:27][C@@H:20]2[C@H:14]3[CH2:9][O:23][C@H:19]([C:11]4=[CH:6][C:18]5=[C:16]([CH:5]=[CH:2]4)[O:25][CH2:10][O:26]5)[C@H:13]3[CH2:8][O:24]2)=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd07769
seedM:cpd07769
CHEBI:9127
chebi:9127
kegg.compound:C10883
keggC:C10883
OJVGWDJIYBTWDS-AFHBHXEDSA-N 		Sesamolinol

metacyc.compound:CPD-8927
metacycM:CPD-8927
seed.compound:cpd25492
seedM:cpd25492
OJVGWDJIYBTWDS-AFHBHXEDSA-N 		(+)-sesamolinol

keggC:M_C10883
seedM:M_cpd07769
seedM:M_cpd25492 		secondary/obsolete/fantasy identifier