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Celereoside

PropertiesImage
MNX_IDMNXM120393 Image of MNXM120393
referencechebi:176056
formulaC20H24O10
global charge0
mol weight424.402
InChIKeyJMWIRXQFQXREAB-UHFFFAOYSA-N
InChIInChI=1S/C20H24O10/c1-20(2,30-19-18(26)17(25)16(24)12(7-21)29-19)13-5-9-11(27-13)6-10-8(15(9)23)3-4-14(22)28-10/h3-4,6,12-13,16-19,21,23-26H,5,7H2,1-2H3
SMILESCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=C(C=C3OC(=O)C=CC3=C2O)O1
MNX internals
InChI (mnx)InChI=1/C20H24O10/c1-20(2,30-19-18(26)17(25)16(24)12(7-21)29-19)13-5-9-11(27-13)6-10-8(15(9)23)3-4-14(22)28-10/h3-4,6,12-13,16-19,21,23-26H,5,7H2,1-2H3/t12?,13?,16?,17?,18?,19? Image of MNXM120393
SMILES (mnx)[CH3:1][C:20]([CH3:2])([CH:13]1[CH2:5][C:9]2=[C:15]([OH:23])[C:8]3=[C:10]([CH:6]=[C:11]2[O:27]1)[O:28][C:14](=[O:22])[CH:4]=[CH:3]3)[O:30][CH:19]1[CH:18]([OH:26])[CH:17]([OH:25])[CH:16]([OH:24])[CH:12]([CH2:7][OH:21])[O:29]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:176056
chebi:176056
JMWIRXQFQXREAB-UHFFFAOYSA-N 		Celereoside
4-hydroxy-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one
hmdb:HMDB0039028
JMWIRXQFQXREAB-UHFFFAOYSA-N 		Celereoside
4-hydroxy-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one
4-hydroxy-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2H,3H-furo[3,2-g]chromen-7-one
Celeroside

hmdb:HMDB39028 		secondary/obsolete/fantasy identifier