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CHEBI:182066 - (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1,4,13-trihydroxy-12,12-dimethyl-6-propan-2-yl-5-tricyclo[9.4.0.03,8]pentadeca-3,5,7-trienyl)oxy]oxane-3,4,5-triol

ChEBI IDCHEBI:182066
ChEBI Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1,4,13-trihydroxy-12,12-dimethyl-6-propan-2-yl-5-tricyclo[9.4.0.03,8]pentadeca-3,5,7-trienyl)oxy]oxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O9
Net Charge0
Average Mass496.597
Monoisotopic Mass496.26723
SMILESCC(C)c1cc2c(c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC1(O)CCC(O)C(C)(C)C1CC2
InChIInChI=1S/C26H40O9/c1-12(2)14-9-13-5-6-17-25(3,4)18(28)7-8-26(17,33)10-15(13)19(29)23(14)35-24-22(32)21(31)20(30)16(11-27)34-24/h9,12,16-18,20-22,24,27-33H,5-8,10-11H2,1-4H3/t16-,17?,18?,20-,21+,22-,24+,26?/m1/s1
InChIKeyXQWLUDAZDUBMCD-AVRSQHCNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1,4,13-trihydroxy-12,12-dimethyl-6-propan-2-yl-5-tricyclo[9.4.0.03,8]pentadeca-3,5,7-trienyl)oxy]oxane-3,4,5-triol (CHEBI:182066) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1,4,13-trihydroxy-12,12-dimethyl-6-propan-2-yl-5-tricyclo[9.4.0.03,8]pentadeca-3,5,7-trienyl)oxy]oxane-3,4,5-triol
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