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CHEBI:200049 - 18-O-b-D-apiofuranosyl-(1-6)-b-D-glucopyranoside ofallo-murolic acid

ChEBI IDCHEBI:200049
ChEBI Name18-O-b-D-apiofuranosyl-(1-6)-b-D-glucopyranoside ofallo-murolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O14
Net Charge0
Average Mass662.770
Monoisotopic Mass662.35136
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@@H](C)O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C(=O)O
InChIInChI=1S/C32H54O14/c1-19(44-30-26(36)25(35)24(34)22(46-30)16-42-31-27(37)32(41,17-33)18-43-31)14-12-10-8-6-4-3-5-7-9-11-13-15-21-23(28(38)39)20(2)29(40)45-21/h19,21-27,30-31,33-37,41H,2-18H2,1H3,(H,38,39)/t19-,21+,22-,23+,24-,25+,26-,27+,30-,31-,32-/m1/s1
InChIKeyUENXOCGEZOWPES-BMIWMTNISA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - PubMed (10963458)
ChEBI Ontology
Outgoing Relation(s)
18-O-b-D-apiofuranosyl-(1-6)-b-D-glucopyranoside ofallo-murolic acid (CHEBI:200049) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S)-2-[(14R)-14-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
Manual XrefsDatabases
78439612ChemSpider