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CHEBI:181863 - [(1S,4aS,6S,7R,7aS)-7-(acetyloxymethyl)-6,7-dihydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

ChEBI IDCHEBI:181863
ChEBI Name[(1S,4aS,6S,7R,7aS)-7-(acetyloxymethyl)-6,7-dihydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O13
Net Charge0
Average Mass520.528
Monoisotopic Mass520.21559
SMILES[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1([H])C[C@H](O)[C@]2(O)COC(C)=O
InChIInChI=1S/C23H36O13/c1-10(2)4-16(27)36-21-17-13(5-15(26)23(17,31)9-34-11(3)25)12(7-32-21)8-33-22-20(30)19(29)18(28)14(6-24)35-22/h7,10,13-15,17-22,24,26,28-31H,4-6,8-9H2,1-3H3/t13-,14-,15+,17-,18-,19+,20-,21+,22-,23-/m1/s1
InChIKeyZZSVMUQQFFDKCD-BSWVNRIFSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,4aS,6S,7R,7aS)-7-(acetyloxymethyl)-6,7-dihydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate (CHEBI:181863) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
[(1S,4aS,6S,7R,7aS)-7-(acetyloxymethyl)-6,7-dihydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
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