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CHEBI:182725 - [(1S,2S,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

ChEBI IDCHEBI:182725
ChEBI Name[(1S,2S,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O11
Net Charge0
Average Mass480.466
Monoisotopic Mass480.16316
SMILES[H][C@]12O[C@@]3(C)C[C@](O)(O1)[C@]1([H])C[C@@]3(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]21COC(=O)c1ccccc1
InChIInChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19+,20+,21+,22+,23+/m1/s1
InChIKeyYKRGDOXKVOZESV-RMNZJSDUSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,2S,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate (CHEBI:182725) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
[(1S,2S,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
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