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CHEBI:178154 - Isolimonic acid glucoside

ChEBI IDCHEBI:178154
ChEBI NameIsolimonic acid glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O15
Net Charge0
Average Mass668.689
Monoisotopic Mass668.26802
SMILESCC1(C)OCC2(C(O)CC(=O)O)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C12OC2C(=O)O
InChIInChI=1S/C32H44O15/c1-28(2)17-9-18(34)30(4)16(31(17,13-44-28)19(35)10-20(36)37)5-7-29(3,32(30)25(47-32)26(41)42)24(14-6-8-43-12-14)46-27-23(40)22(39)21(38)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,38-40H,5,7,9-11,13H2,1-4H3,(H,36,37)(H,41,42)
InChIKeyKEITVHVZENPMPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
Isolimonic acid glucoside (CHEBI:178154) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
9b-(2-carboxy-1-hydroxyethyl)-7-[uran-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3,5a,7-tetramethyl-5-oxospiro[1,3a,4,8,9,9a-hexahydrobenzo[e][2]benzouran-6,3'-oxirane]-2'-carboxylic acid
Manual XrefsDatabases
HMDB0039365HMDB