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CHEBI:205032 - (18S )-18-O-b-D-Apiofuranosyl-(1-4)-b-D-glucopyranosideof protoconstipatic acid

ChEBI IDCHEBI:205032
ChEBI Name(18S )-18-O-b-D-Apiofuranosyl-(1-4)-b-D-glucopyranosideof protoconstipatic acid
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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](OC3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1C(=O)O
InChIInChI=1S/C32H54O14/c1-19(43-30-25(36)24(35)26(22(16-33)45-30)46-31-27(37)32(41,17-34)18-42-31)14-12-10-8-6-4-3-5-7-9-11-13-15-21-23(28(38)39)20(2)29(40)44-21/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+/m0/s1
InChIKeyBNJIIKPRHJGVMK-XIHHQNPXSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - PubMed (10963458)
ChEBI Ontology
Outgoing Relation(s)
(18S )-18-O-b-D-Apiofuranosyl-(1-4)-b-D-glucopyranosideof protoconstipatic acid (CHEBI:205032) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3R)-2-[(14S)-14-[(2R,3R,4R,5S,6R)-5-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
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