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CHEBI:189890 - 19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside

ChEBI IDCHEBI:189890
ChEBI Name19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O16
Net Charge0
Average Mass686.704
Monoisotopic Mass686.27859
SMILESCC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(OC3OC(CO)C(O)C(O)C3O)c3ccoc3)C23OC3C(=O)O)C1(CO)C(O)CC(=O)O
InChIInChI=1S/C32H46O16/c1-28(2,44)17-9-18(35)30(4)16(31(17,13-34)19(36)10-20(37)38)5-7-29(3,32(30)25(48-32)26(42)43)24(14-6-8-45-12-14)47-27-23(41)22(40)21(39)15(11-33)46-27/h6,8,12,15-17,19,21-25,27,33-34,36,39-41,44H,5,7,9-11,13H2,1-4H3,(H,37,38)(H,42,43)
InChIKeyMCCMYXSRCBDORE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside (CHEBI:189890) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
8-(2-carboxy-1-hydroxyethyl)-3-[uran-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-(hydroxymethyl)-7-(2-hydroxypropan-2-yl)-3,4a-dimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid
Manual XrefsDatabases
HMDB0037589HMDB