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CHEBI:182699 - (2R,3S,4S,5S,6R)-2-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

ChEBI IDCHEBI:182699
ChEBI Name(2R,3S,4S,5S,6R)-2-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44O8
Net Charge0
Average Mass484.630
Monoisotopic Mass484.30362
SMILESC=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC2C(C)(C)C(O)CCC2(C)C1CC/C(C)=C\CO
InChIInChI=1S/C26H44O8/c1-14(9-11-27)6-7-16-15(2)17(12-19-25(3,4)20(29)8-10-26(16,19)5)33-24-23(32)22(31)21(30)18(13-28)34-24/h9,16-24,27-32H,2,6-8,10-13H2,1,3-5H3/b14-9-/t16?,17?,18-,19?,20?,21-,22+,23+,24-,26?/m1/s1
InChIKeyJECOCDKQCZSANH-RFKAOMIISA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5S,6R)-2-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:182699) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R,3S,4S,5S,6R)-2-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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