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1-(3-Methyl-2-butenoyl)-6-apiosylglucose

PropertiesImage
MNX_IDMNXM115849 Image of MNXM115849
referencechebi:169299
formulaC16H26O11
global charge0
mol weight394.373
InChIKeyMVLVZZLLWUAMRM-UHFFFAOYSA-N
InChIInChI=1S/C16H26O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h3,8,10-15,17,19-23H,4-6H2,1-2H3
SMILESCC(C)=CC(=O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C16H26O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h3,8,10-15,17,19-23H,4-6H2,1-2H3/t8?,10?,11?,12?,13?,14?,15?,16? Image of MNXM115849
SMILES (mnx)[CH3:1][C:7]([CH3:2])=[CH:3][C:9](=[O:18])[O:27][CH:14]1[CH:12]([OH:21])[CH:11]([OH:20])[CH:10]([OH:19])[CH:8]([CH2:4][O:24][CH:15]2[CH:13]([OH:22])[C:16]([CH2:5][OH:17])([OH:23])[CH2:6][O:25]2)[O:26]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:169299
chebi:169299
MVLVZZLLWUAMRM-UHFFFAOYSA-N 		1-(3-Methyl-2-butenoyl)-6-apiosylglucose
[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 3-methylbut-2-enoate
hmdb:HMDB0039952
MVLVZZLLWUAMRM-UHFFFAOYSA-N 		1-(3-Methyl-2-butenoyl)-6-apiosylglucose
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3-methylbut-2-enoate
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3-methylbut-2-enoic acid

hmdb:HMDB39952 		secondary/obsolete/fantasy identifier