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(7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside

PropertiesImage
MNX_IDMNXM115209 Image of MNXM115209
referencechebi:178113
formulaC26H32O11
global charge0
mol weight520.531
InChIKeySPWHQAUMLDQOFU-ARJAWSKDSA-N
InChIInChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3-
SMILESCOC1=CC(/C=C\CO)=CC2=C1OC(C1=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C1)C2CO
MNX internals
InChI (mnx)InChI=1/C26H32O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3-/t16?,20?,21?,22?,23?,24?,26? Image of MNXM115209
SMILES (mnx)[CH3:1][O:33][C:18]1=[C:17]([O:35][CH:26]2[CH:23]([OH:32])[CH:22]([OH:31])[CH:21]([OH:30])[CH:20]([CH2:12][OH:29])[O:36]2)[CH:6]=[CH:5][C:14]([CH:24]2[CH:16]([CH2:11][OH:28])[C:15]3=[C:25]([C:19]([O:34][CH3:2])=[CH:9][C:13](/[CH:4]=[CH:3]\[CH2:7][OH:27])=[CH:8]3)[O:37]2)=[CH:10]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:178113
chebi:178113
SPWHQAUMLDQOFU-ARJAWSKDSA-N 		(7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside
2-(hydroxymethyl)-6-[4-[3-(hydroxymethyl)-5-[(Z)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzouran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
hmdb:HMDB0040636
SPWHQAUMLDQOFU-ARJAWSKDSA-N 		(7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside
2-(hydroxymethyl)-6-{4-[3-(hydroxymethyl)-5-[(1Z)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triol

hmdb:HMDB40636 		secondary/obsolete/fantasy identifier