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CHEBI:200520 - (2S,3S)-2-[(14R)-14-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid

ChEBI IDCHEBI:200520
ChEBI Name(2S,3S)-2-[(14R)-14-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H66O20
Net Charge0
Average Mass854.937
Monoisotopic Mass854.41474
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@@H](C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)[C@H]1C(=O)O
WURCSWURCS=2.0/2,3,2/[axxxxh-1x_1-5_1*OC^RCCCCCCCCCCCCCC^SC^SCCO$17/20=O/19=C/18CO/24=O/3C][axxxxh-1x_1-5]/1-2-2/a2-b1_a3-c1
InChIInChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)54-21)53-39-34(59-38-32(49)30(47)27(44)23(17-41)56-38)33(28(45)24(18-42)57-39)58-37-31(48)29(46)26(43)22(16-40)55-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21+,22?,23?,24?,25+,26?,27?,28?,29?,30?,31?,32?,33?,34?,37?,38?,39?/m1/s1
InChIKeyMKURTYXIKASPFJ-OYNPUQFGSA-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-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid (CHEBI:200520) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2S,3S)-2-[(14R)-14-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
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