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CHEBI:39673 - (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE

Default Structure
ChEBI IDCHEBI:39673
ChEBI Name(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H30O9P2
Net Charge0
Average Mass524.443
Monoisotopic Mass524.13651
SMILES[H]OP(=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])/C([H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(\C([H])([H])[H])C([H])([H])OC([H])([H])c1c([H])c([H])c([H])c(C(=O)c2c([H])c([H])c([H])c([H])c2[H])c1[H]
InChIInChI=1S/C24H30O9P2/c1-19(14-15-32-35(29,30)33-34(26,27)28)8-6-9-20(2)17-31-18-21-10-7-13-23(16-21)24(25)22-11-4-3-5-12-22/h3-5,7,9-14,16H,6,8,15,17-18H2,1-2H3,(H,29,30)(H2,26,27,28)/b19-14+,20-9+
InChIKeyIRMXEEMZDGNJKM-APFDVHGWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE (CHEBI:39673) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2E,6E)-3,7-dimethyl-8-{[3-(phenylcarbonyl)benzyl]oxy}octa-2,6-dien-1-yl trihydrogen diphosphatePDBeChem
(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATEPDBeChem
Manual XrefsDatabases
1NHPDBeChem