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CHEBI:202800 - (18S )-18-O-a-D-Arabinofuranosyl-(1-6)-b-D-glucopyranosideof protoconstipatic acid

ChEBI IDCHEBI:202800
ChEBI Name(18S )-18-O-a-D-Arabinofuranosyl-(1-6)-b-D-glucopyranosideof protoconstipatic 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]3O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C(=O)O
InChIInChI=1S/C32H54O14/c1-18(43-32-28(38)26(36)25(35)22(46-32)17-42-31-27(37)24(34)21(16-33)45-31)14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(29(39)40)19(2)30(41)44-20/h18,20-28,31-38H,2-17H2,1H3,(H,39,40)/t18-,20+,21-,22-,23+,24-,25-,26+,27+,28-,31+,32-/m1/s1
InChIKeyWOLVAFVWSFUHJX-XUYHGJNUSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - PubMed (10963458)
ChEBI Ontology
Outgoing Relation(s)
(18S )-18-O-a-D-Arabinofuranosyl-(1-6)-b-D-glucopyranosideof protoconstipatic acid (CHEBI:202800) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S)-2-[(14R)-14-[(2R,3R,4S,5S,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
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78439646ChemSpider