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CHEBI:181101 - 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]oxane-3,4,5-triol

ChEBI IDCHEBI:181101
ChEBI Name2-[[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]oxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42O7
Net Charge0
Average Mass454.604
Monoisotopic Mass454.29305
SMILESC=C1C(OC2OCC(O)C(O)C2O)CC2C(C)(C)C(O)CCC2(C)C1CC/C(C)=C\CO
InChIInChI=1S/C25H42O7/c1-14(9-11-26)6-7-16-15(2)18(32-23-22(30)21(29)17(27)13-31-23)12-19-24(3,4)20(28)8-10-25(16,19)5/h9,16-23,26-30H,2,6-8,10-13H2,1,3-5H3/b14-9-
InChIKeyLRKGVEXMBFESEF-ZROIWOOFSA-N
ChEBI Ontology
Outgoing Relation(s)
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]oxane-3,4,5-triol (CHEBI:181101) is a diterpenoid (CHEBI:23849)
IUPAC Name 
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]oxane-3,4,5-triol