Search MNXref
 Feedback

Oleuroside

PropertiesImage
MNX_IDMNXM128851 Image of MNXM128851
referencechebi:168518
formulaC25H32O13
global charge0
mol weight540.518
InChIKeyWWKVQWHAWPZZDB-UHFFFAOYSA-N
InChIInChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3
SMILESC=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC(O)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3/t13?,14?,18?,20?,21?,22?,24?,25? Image of MNXM128851
SMILES (mnx)[CH2:1]=[CH:3][CH:13]1[CH:14]([CH2:9][C:19](=[O:29])[O:35][CH2:7][CH2:6][C:12]2=[CH:8][C:17]([OH:28])=[C:16]([OH:27])[CH:5]=[CH:4]2)[C:15]([C:23](=[O:33])[O:34][CH3:2])=[CH:11][O:36][CH:24]1[O:38][CH:25]1[CH:22]([OH:32])[CH:21]([OH:31])[CH:20]([OH:30])[CH:18]([CH2:10][OH:26])[O:37]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:168518
chebi:168518
WWKVQWHAWPZZDB-UHFFFAOYSA-N 		Oleuroside
methyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
hmdb:HMDB0035352
WWKVQWHAWPZZDB-UHFFFAOYSA-N 		Oleuroside
Methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylate

hmdb:HMDB35352 		secondary/obsolete/fantasy identifier