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CHEBI:203543 - (2S,3S)-2-[(14R)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid

ChEBI IDCHEBI:203543
ChEBI Name(2S,3S)-2-[(14R)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O15
Net Charge0
Average Mass692.796
Monoisotopic Mass692.36192
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@@H](C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)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)45-20)44-33-29(27(39)25(37)22(17-35)47-33)48-32-28(40)26(38)24(36)21(16-34)46-32/h18,20-29,32-40H,2-17H2,1H3,(H,41,42)/t18-,20+,21?,22?,23+,24?,25?,26?,27?,28?,29?,32?,33?/m1/s1
InChIKeyGSQGKQRQTZSGTA-PGRYPMSQSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - DOI (10.1016/s0031-9422(00)00372-1)
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2-[(14R)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid (CHEBI:203543) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S)-2-[(14R)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
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