CHEBI:178154 - Isolimonic acid glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isolimonic acid glucoside
ChEBI ID CHEBI:178154
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H44O15
Net Charge 0
Average Mass 668.689
Monoisotopic Mass 668.26802
InChI InChI=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)
InChIKey KEITVHVZENPMPG-UHFFFAOYSA-N
SMILES O1C2(C3(C(C4(C(CC3=O)C(OC4)(C)C)C(O)CC(O)=O)CCC2(C(OC5OC(C(O)C(O)C5O)CO)C=6C=COC6)C)C)C1C(O)=O
Metabolite of Species Details
Arisaema erubescens (NCBI:txid228806) Found in bulb (BTO:0000159). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0039365 HMDB
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