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sesaminol 2-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM114426 Image of MNXM114426
referencechebi:145784
formulaC26H28O12
global charge0
mol weight532.498
InChIKeyHVDZWQPYIXKSCL-LFZZSFSNSA-N
InChIInChI=1S/C26H28O12/c27-6-20-21(28)22(29)23(30)26(38-20)37-16-5-19-18(35-10-36-19)4-12(16)25-14-8-31-24(13(14)7-32-25)11-1-2-15-17(3-11)34-9-33-15/h1-5,13-14,20-30H,6-10H2/t13-,14-,20+,21+,22-,23+,24+,25+,26+/m0/s1
SMILESOC[C@H]1O[C@@H](OC2=CC3=C(C=C2[C@H]2OC[C@H]4[C@@H]2CO[C@@H]4C2=CC4=C(C=C2)OCO4)OCO3)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C26H28O12/c27-6-20-21(28)22(29)23(30)26(38-20)37-16-5-19-18(35-10-36-19)4-12(16)25-14-8-31-24(13(14)7-32-25)11-1-2-15-17(3-11)34-9-33-15/h1-5,13-14,20-30H,6-10H2/t13-,14-,20+,21+,22-,23+,24+,25+,26+/m0/s1 Image of MNXM114426
SMILES (mnx)[CH:1]1=[CH:2][C:15]2=[C:17]([CH:3]=[C:11]1[C@@H:24]1[C@H:13]3[CH2:7][O:32][C@H:25]([C:12]4=[CH:4][C:18]5=[C:19]([CH:5]=[C:16]4[O:37][C@H:26]4[C@H:23]([OH:30])[C@@H:22]([OH:29])[C@H:21]([OH:28])[C@@H:20]([CH2:6][OH:27])[O:38]4)[O:36][CH2:10][O:35]5)[C@H:14]3[CH2:8][O:31]1)[O:34][CH2:9][O:33]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145784
chebi:145784
HVDZWQPYIXKSCL-LFZZSFSNSA-N 		sesaminol 2-O-beta-D-glucoside
(+)-sesaminol 2-O-beta-D-glucoside
6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl beta-D-glucopyranoside
sesaminol 2-O-beta-D-glucopyranoside

metacyc.compound:CPD-14838
metacycM:CPD-14838
seed.compound:cpd32155
seedM:cpd32155
HVDZWQPYIXKSCL-LFZZSFSNSA-N 		(+)-sesaminol 2-O-beta-D-glucoside

seedM:M_cpd32155 		secondary/obsolete/fantasy identifier