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CHEBI:198825 - F-16438 B

ChEBI IDCHEBI:198825
ChEBI NameF-16438 B
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SubmitterMetaboLights
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FormulaC40H64O17
Net Charge0
Average Mass816.935
Monoisotopic Mass816.41435
SMILESCC(=O)OC1C(O)[C@H](O)C(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)C(=O)OC(C)CCCCCCCCCCCCCCCC(=O)Cc1cccc(O)c1C(=O)O
InChIInChI=1S/C40H64O17/c1-24(54-39(53)36(50)34(48)32(46)29(22-41)56-40-37(55-25(2)43)35(49)33(47)30(23-42)57-40)17-14-12-10-8-6-4-3-5-7-9-11-13-15-19-27(44)21-26-18-16-20-28(45)31(26)38(51)52/h16,18,20,24,29-30,32-37,40-42,45-50H,3-15,17,19,21-23H2,1-2H3,(H,51,52)/t24?,29-,30?,32-,33-,34+,35?,36+,37?,40-/m1/s1
InChIKeyPPTNCWGNQQEDMY-FCENZCCRSA-N
Species of MetaboliteComponentSourceComments
Gloeoporus dichrous (ncbitaxon:329018) - PubMed (17323643)
ChEBI Ontology
Outgoing Relation(s)
F-16438 B (CHEBI:198825) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-[18-[(2S,3S,4S,5R)-5-[(2R,5S)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6-tetrahydroxyhexanoyl]oxy-2-oxononadecyl]-6-hydroxybenzoic acid
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