CHEBI:191782 - Nomilinic acid 17-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 Nomilinic acid 17-glucoside
ChEBI ID CHEBI:191782
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H48O16
Net Charge 0
Average Mass 712.742
Monoisotopic Mass 712.29424
InChI InChI=1S/C34H48O16/c1-15(36)47-21(12-22(38)39)32(5)18-7-9-31(4,34(27(50-34)28(43)44)33(18,6)20(37)11-19(32)30(2,3)45)26(16-8-10-46-14-16)49-29-25(42)24(41)23(40)17(13-35)48-29/h8,10,14,17-19,21,23-27,29,35,40-42,45H,7,9,11-13H2,1-6H3,(H,38,39)(H,43,44)
InChIKey MUZNNCNJBAPYJF-UHFFFAOYSA-N
SMILES O1C2(C3(C(C(C(CC3=O)C(O)(C)C)(C(OC(=O)C)CC(O)=O)C)CCC2(C(OC4OC(C(O)C(O)C4O)CO)C=5C=COC5)C)C)C1C(O)=O
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Nomilinic acid 17-glucoside (CHEBI:191782) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name
8-(1-acetyloxy-2-carboxyethyl)-3-[uran-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(2-hydroxypropan-2-yl)-3,4a,8-trimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid
Manual Xref Database
HMDB0037892 HMDB
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