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CHEBI:181233 - [(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate

ChEBI IDCHEBI:181233
ChEBI Name[(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O8
Net Charge0
Average Mass562.744
Monoisotopic Mass562.35057
SMILES[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=CC1[C@@]1(O)[C@H](C)C[C@@]3(OC(=O)CCCCCCCCCCC)C(C)(C)[C@@]3([H])[C@]21[H]
InChIInChI=1S/C32H50O8/c1-6-7-8-9-10-11-12-13-14-15-22(34)39-30-17-20(3)31(37)21-16-19(2)25(35)32(21,38)27(36)29(18-33)26(40-29)23(31)24(30)28(30,4)5/h16,20-21,23-24,26-27,33,36-38H,6-15,17-18H2,1-5H3/t20-,21?,23-,24-,26+,27-,29+,30+,31+,32-/m1/s1
InChIKeyJGUYJMIAKPTIAH-CPYUNXKESA-N
ChEBI Ontology
Outgoing Relation(s)
[(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate (CHEBI:181233) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate
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