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CHEBI:206497 - (18S)-18-O-b-D-Glucopyranoside of protoconstipaticacid

ChEBI IDCHEBI:206497
ChEBI Name(18S)-18-O-b-D-Glucopyranoside of protoconstipaticacid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O10
Net Charge0
Average Mass530.655
Monoisotopic Mass530.30910
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C(=O)O
InChIInChI=1S/C27H46O10/c1-17(35-27-24(31)23(30)22(29)20(16-28)37-27)14-12-10-8-6-4-3-5-7-9-11-13-15-19-21(25(32)33)18(2)26(34)36-19/h17,19-24,27-31H,2-16H2,1H3,(H,32,33)/t17-,19-,20+,21-,22+,23-,24+,27+/m0/s1
InChIKeyBQMKIYAUBIGCRK-LDZXAOCSSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - PubMed (10963458)
ChEBI Ontology
Outgoing Relation(s)
(18S)-18-O-b-D-Glucopyranoside of protoconstipaticacid (CHEBI:206497) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S)-4-methylidene-5-oxo-2-[(14S)-14-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecyl]oxolane-3-carboxylic acid
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