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CHEBI:208139 - (18S)-18-O-B-D-Glucopyranosyl-(1-6)-B-D-glucopyranosideof protoconstipatic acid

ChEBI IDCHEBI:208139
ChEBI Name(18S)-18-O-B-D-Glucopyranosyl-(1-6)-B-D-glucopyranosideof protoconstipatic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O15
Net Charge0
Average Mass692.796
Monoisotopic Mass692.36192
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@H](C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)[C@@H]1C(=O)O
InChIInChI=1S/C33H56O15/c1-18(14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(30(41)42)19(2)31(43)46-20)45-33-29(40)27(38)25(36)22(48-33)17-44-32-28(39)26(37)24(35)21(16-34)47-32/h18,20-29,32-40H,2-17H2,1H3,(H,41,42)/t18-,20-,21?,22?,23+,24?,25?,26?,27?,28?,29?,32?,33?/m0/s1
InChIKeyPTFJXEMZCYFRLR-AMGBDURPSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - DOI (10.1016/s0031-9422(00)00372-1)
ChEBI Ontology
Outgoing Relation(s)
(18S)-18-O-B-D-Glucopyranosyl-(1-6)-B-D-glucopyranosideof protoconstipatic acid (CHEBI:208139) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3R)-4-methylidene-5-oxo-2-[(14S)-14-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypentadecyl]oxolane-3-carboxylic acid
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