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(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate

PropertiesImage
MNX_IDMNXM115010 Image of MNXM115010
referencechebi:175491
formulaC23H28O8
global charge0
mol weight432.469
InChIKeyPCHXAHPLKORHMW-UHFFFAOYSA-N
InChIInChI=1S/C23H28O8/c1-13(24)30-17-11-16(6-4-14-5-7-18(25)21(8-14)28-2)31-20(12-17)15-9-19(26)23(27)22(10-15)29-3/h5,7-10,16-17,20,25-27H,4,6,11-12H2,1-3H3
SMILESCOC1=C(O)C=CC(CCC2CC(OC(C)=O)CC(C3=CC(OC)=C(O)C(O)=C3)O2)=C1
MNX internals
InChI (mnx)InChI=1/C23H28O8/c1-13(24)30-17-11-16(6-4-14-5-7-18(25)21(8-14)28-2)31-20(12-17)15-9-19(26)23(27)22(10-15)29-3/h5,7-10,16-17,20,25-27H,4,6,11-12H2,1-3H3/t16?,17?,20? Image of MNXM115010
SMILES (mnx)[CH3:1][C:13](=[O:24])[O:30][CH:17]1[CH2:11][CH:16]([CH2:6][CH2:4][C:14]2=[CH:8][C:21]([O:28][CH3:2])=[C:18]([OH:25])[CH:7]=[CH:5]2)[O:31][CH:20]([C:15]2=[CH:9][C:19]([OH:26])=[C:23]([OH:27])[C:22]([O:29][CH3:3])=[CH:10]2)[CH2:12]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

CHEBI:175491
chebi:175491
PCHXAHPLKORHMW-UHFFFAOYSA-N 		(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate
[2-(3,4-dihydroxy-5-methoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl] acetate
hmdb:HMDB0030503
PCHXAHPLKORHMW-UHFFFAOYSA-N 		(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate
(2S,4R,6S)-2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetic acid
(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetic acid
2-(3,4-Dihydroxy-5-methoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl acetic acid
2-(3,4-dihydroxy-5-methoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl acetate

hmdb:HMDB30503 		secondary/obsolete/fantasy identifier