Search MNXref
 Feedback

minecoside

PropertiesImage
MNX_IDMNXM106699 Image of MNXM106699
referencechebi:69801
formulaC25H30O13
global charge0
mol weight538.502
InChIKeyLRHHPZILMPIMIY-GGKKSNITSA-N
InChIInChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
SMILESCOC1=C(O)C=C(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)C=C1
MNX internals
InChI (mnx)InChI=1/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1 Image of MNXM106699
SMILES (mnx)[CH3:1][O:33][C:14]1=[C:13]([OH:28])[CH:8]=[C:11](/[CH:3]=[CH:5]/[C:16](=[O:29])[O:36][C@H:21]2[C@@H:12]3[CH:6]=[CH:7][O:34][C@@H:23]([O:37][C@H:24]4[C@H:20]([OH:32])[C@@H:19]([OH:31])[C@H:18]([OH:30])[C@@H:15]([CH2:9][OH:26])[O:35]4)[C@@H:17]3[C@:25]3([CH2:10][OH:27])[C@H:22]2[O:38]3)[CH:2]=[CH:4]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:69801
chebi:69801
LRHHPZILMPIMIY-GGKKSNITSA-N 		minecoside
(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate