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CHEBI:215343 - 18-O-b-D-Glucopyranosyl-18S-hydroxyneodihydroprotolichesterinate21-O-b-D-glucopyranoside

ChEBI IDCHEBI:215343
ChEBI Name18-O-b-D-Glucopyranosyl-18S-hydroxyneodihydroprotolichesterinate21-O-b-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O15
Net Charge0
Average Mass694.812
Monoisotopic Mass694.37757
SMILESC[C@@H](CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@H]1C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C33H58O15/c1-18(44-32-28(40)26(38)24(36)21(16-34)46-32)14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(19(2)30(42)45-20)31(43)48-33-29(41)27(39)25(37)22(17-35)47-33/h18-29,32-41H,3-17H2,1-2H3/t18-,19+,20-,21+,22+,23+,24+,25+,26-,27-,28+,29+,32+,33-/m0/s1
InChIKeyRJAHGHJUHVHAQR-HQUFRHIYSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - PubMed (11557085)
ChEBI Ontology
Outgoing Relation(s)
18-O-b-D-Glucopyranosyl-18S-hydroxyneodihydroprotolichesterinate21-O-b-D-glucopyranoside (CHEBI:215343) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3R,4R)-4-methyl-5-oxo-2-[(14S)-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecyl]oxolane-3-carboxylate
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78439732ChemSpider