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Citrusin E

PropertiesImage
MNX_IDMNXM120663 Image of MNXM120663
referencechebi:168372
formulaC17H24O9
global charge0
mol weight372.37
InChIKeyGPJDWVYEUMEYKE-UHFFFAOYSA-N
InChIInChI=1S/C17H24O9/c1-23-11-7-9(4-6-13(19)24-2)3-5-10(11)25-17-16(22)15(21)14(20)12(8-18)26-17/h3,5,7,12,14-18,20-22H,4,6,8H2,1-2H3
SMILESCOC(=O)CCC1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1
MNX internals
InChI (mnx)InChI=1/C17H24O9/c1-23-11-7-9(4-6-13(19)24-2)3-5-10(11)25-17-16(22)15(21)14(20)12(8-18)26-17/h3,5,7,12,14-18,20-22H,4,6,8H2,1-2H3/t12?,14?,15?,16?,17? Image of MNXM120663
SMILES (mnx)[CH3:1][O:23][C:11]1=[C:10]([O:25][CH:17]2[CH:16]([OH:22])[CH:15]([OH:21])[CH:14]([OH:20])[CH:12]([CH2:8][OH:18])[O:26]2)[CH:5]=[CH:3][C:9]([CH2:4][CH2:6][C:13](=[O:19])[O:24][CH3:2])=[CH:7]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:168372
chebi:168372
GPJDWVYEUMEYKE-UHFFFAOYSA-N 		Citrusin E
methyl 3-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate
hmdb:HMDB0039234
GPJDWVYEUMEYKE-UHFFFAOYSA-N 		Citrusin E
Methyl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid
Phenyl triisopropylsilyl selenide
TrIIsopropyl(phenylseleno)silane
methyl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate

hmdb:HMDB39234 		secondary/obsolete/fantasy identifier