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Aloesol 7-glucoside

PropertiesImage
MNX_IDMNXM118961 Image of MNXM118961
referencechebi:168195
formulaC19H24O9
global charge0
mol weight396.392
InChIKeyOUFZAUOJAQUDOD-UHFFFAOYSA-N
InChIInChI=1S/C19H24O9/c1-8-3-10(27-19-18(25)17(24)16(23)14(7-20)28-19)6-13-15(8)12(22)5-11(26-13)4-9(2)21/h3,5-6,9,14,16-21,23-25H,4,7H2,1-2H3
SMILESCC1=C2C(=O)C=C(CC(C)O)OC2=CC(OC2OC(CO)C(O)C(O)C2O)=C1
MNX internals
InChI (mnx)InChI=1/C19H24O9/c1-8-3-10(27-19-18(25)17(24)16(23)14(7-20)28-19)6-13-15(8)12(22)5-11(26-13)4-9(2)21/h3,5-6,9,14,16-21,23-25H,4,7H2,1-2H3/t9?,14?,16?,17?,18?,19? Image of MNXM118961
SMILES (mnx)[CH3:1][C:8]1=[CH:3][C:10]([O:27][CH:19]2[CH:18]([OH:25])[CH:17]([OH:24])[CH:16]([OH:23])[CH:14]([CH2:7][OH:20])[O:28]2)=[CH:6][C:13]2=[C:15]1[C:12](=[O:22])[CH:5]=[C:11]([CH2:4][CH:9]([CH3:2])[OH:21])[O:26]2
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:168195
chebi:168195
OUFZAUOJAQUDOD-UHFFFAOYSA-N
Aloesol 7-glucoside
2-(2-hydroxypropyl)-5-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
hmdb:HMDB0040565
OUFZAUOJAQUDOD-UHFFFAOYSA-N
Aloesol 7-glucoside
2-(2-hydroxypropyl)-5-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
2-(2-hydroxypropyl)-5-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

hmdb:HMDB40565
secondary/obsolete/fantasy identifier