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1-Acetoxypinoresinol

PropertiesImage
MNX_IDMNXM32686 Image of MNXM32686
referencechebi:582
formulaC22H24O8
global charge0
mol weight416.426
InChIKeyNATDFORNCKZPCI-FPHUIIFBSA-N
InChIInChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3/t15-,20-,21-,22-/m1/s1
SMILESCOC1=C(O)C=CC([C@H]2OC[C@]3(OC(C)=O)[C@@H](C4=CC(OC)=C(O)C=C4)OC[C@H]23)=C1
MNX internals
InChI (mnx)InChI=1/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3/t15-,20-,21-,22-/m1/s1 Image of MNXM32686
SMILES (mnx)[CH3:1][C:12](=[O:23])[O:30][C@:22]12[CH2:11][O:29][C@H:20]([C:13]3=[CH:8][C:18]([O:26][CH3:2])=[C:16]([OH:24])[CH:6]=[CH:4]3)[C@H:15]1[CH2:10][O:28][C@@H:21]2[C:14]1=[CH:9][C:19]([O:27][CH3:3])=[C:17]([OH:25])[CH:7]=[CH:5]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:cpd07430
seedM:cpd07430
CHEBI:582
chebi:582
kegg.compound:C10544
keggC:C10544
NATDFORNCKZPCI-FPHUIIFBSA-N 		1-Acetoxypinoresinol
hmdb:HMDB0033280
NATDFORNCKZPCI-UHFFFAOYSA-N 		8-Acetoxypinoresinol
1,4-Bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetic acid
1,4-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate
1,4-bis(4-hydroxy-3-methoxyphenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-yl acetate
1-Acetoxypinoresinol

CHEBI:172658
chebi:172658
NATDFORNCKZPCI-UHFFFAOYSA-N 		8-Acetoxypinoresinol
[3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl] acetate

hmdb:HMDB33280
keggC:M_C10544
seedM:M_cpd07430 		secondary/obsolete/fantasy identifier