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CHEBI:200004 - (18S )-18-O-a-L-rhamnopyranosyl-(1-4)-b-D-glucopyranosideto protoconstipatic acid

ChEBI IDCHEBI:200004
ChEBI Name(18S )-18-O-a-L-rhamnopyranosyl-(1-4)-b-D-glucopyranosideto protoconstipatic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O14
Net Charge0
Average Mass676.797
Monoisotopic Mass676.36701
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1C(=O)O
InChIInChI=1S/C33H56O14/c1-18(15-13-11-9-7-5-4-6-8-10-12-14-16-21-23(30(40)41)19(2)31(42)45-21)43-32-28(39)26(37)29(22(17-34)46-32)47-33-27(38)25(36)24(35)20(3)44-33/h18,20-29,32-39H,2,4-17H2,1,3H3,(H,40,41)/t18-,20-,21-,22+,23+,24+,25-,26+,27+,28+,29+,32+,33-/m0/s1
InChIKeyVGNGBLBEXDRALB-HMWKTENQSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - PubMed (10963458)
ChEBI Ontology
Outgoing Relation(s)
(18S )-18-O-a-L-rhamnopyranosyl-(1-4)-b-D-glucopyranosideto protoconstipatic acid (CHEBI:200004) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3R)-2-[(14S)-14-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
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78439610ChemSpider