Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

pedunculosumoside B

PropertiesImageOccurences in reactions
MNX_IDMNXM107602Image of MNXM107602
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC33H40O17
charge0
mass708.22655
referencechebi:67874
InChIKeyHTSBCGPVSFENKR-LMYGLBCJSA-N
InChIInChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)31(13)50-33-29(45)27(43)25(41)21(11-36)49-33)30-16(9-34)23(39)22-17(37)7-15(8-19(22)47-30)46-32-28(44)26(42)24(40)20(10-35)48-32/h3,5-8,20-21,24-29,32-38,40-45H,4,9-11H2,1-2H3/t20-,21-,24-,25-,26+,27+,28-,29-,32-,33+/m1/s1
SMILESCC(C)=CCc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2CO)cc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:67874
chebi:67874 		pedunculosumoside B
4-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl beta-D-glucopyranoside
5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-beta-D-glucopyranosyl-4'-O-beta-D-glucopyranoside