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CHEBI:200627 - F-16438 E

ChEBI IDCHEBI:200627
ChEBI NameF-16438 E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H66O18
Net Charge0
Average Mass858.972
Monoisotopic Mass858.42492
SMILESCC(=O)OC1C(O)[C@H](O)C(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H](OC(C)=O)C(=O)OC(C)CCCCCCCCCCCCCCCC(=O)Cc1cccc(O)c1C(=O)O
InChIInChI=1S/C42H66O18/c1-25(18-15-13-11-9-7-5-4-6-8-10-12-14-16-20-29(47)22-28-19-17-21-30(48)33(28)40(53)54)56-41(55)38(57-26(2)45)36(51)34(49)31(23-43)59-42-39(58-27(3)46)37(52)35(50)32(24-44)60-42/h17,19,21,25,31-32,34-39,42-44,48-52H,4-16,18,20,22-24H2,1-3H3,(H,53,54)/t25?,31-,32?,34-,35-,36+,37?,38+,39?,42-/m1/s1
InChIKeyMBAUUCGANHACJM-SNRFAGFJSA-N
Species of MetaboliteComponentSourceComments
Gloeoporus dichrous (ncbitaxon:329018) - PubMed (17323643)
ChEBI Ontology
Outgoing Relation(s)
F-16438 E (CHEBI:200627) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-[18-[(2S,3S,4S,5R)-2-acetyloxy-5-[(2S,5S)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6-trihydroxyhexanoyl]oxy-2-oxononadecyl]-6-hydroxybenzoic acid
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