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(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]

PropertiesImage
MNX_IDMNXM115461 Image of MNXM115461
referencechebi:173280
formulaC22H32O13
global charge0
mol weight504.485
InChIKeyMXXCYHQPSVRPOP-UHFFFAOYSA-N
InChIInChI=1S/C22H32O13/c1-3-9(2)15(26)14-11(25)4-10(24)5-12(14)34-20-18(29)17(28)16(27)13(35-20)6-32-21-19(30)22(31,7-23)8-33-21/h4-5,9,13,16-21,23-25,27-31H,3,6-8H2,1-2H3
SMILESCCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C(O)C=C1O
MNX internals
InChI (mnx)InChI=1/C22H32O13/c1-3-9(2)15(26)14-11(25)4-10(24)5-12(14)34-20-18(29)17(28)16(27)13(35-20)6-32-21-19(30)22(31,7-23)8-33-21/h4-5,9,13,16-21,23-25,27-31H,3,6-8H2,1-2H3/t9?,13?,16?,17?,18?,19?,20?,21?,22? Image of MNXM115461
SMILES (mnx)[CH3:1][CH2:3][CH:9]([CH3:2])[C:15]([C:14]1=[C:11]([OH:25])[CH:4]=[C:10]([OH:24])[CH:5]=[C:12]1[O:34][CH:20]1[CH:18]([OH:29])[CH:17]([OH:28])[CH:16]([OH:27])[CH:13]([CH2:6][O:32][CH:21]2[CH:19]([OH:30])[C:22]([CH2:7][OH:23])([OH:31])[CH2:8][O:33]2)[O:35]1)=[O:26]
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:173280
chebi:173280
MXXCYHQPSVRPOP-UHFFFAOYSA-N 		(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,6-dihydroxyphenyl]-2-methylbutan-1-one
hmdb:HMDB0039930
MXXCYHQPSVRPOP-UHFFFAOYSA-N 		(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one

hmdb:HMDB39930 		secondary/obsolete/fantasy identifier