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(Q115946902)
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English
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] hexadecanoate
group of stereoisomers with the chemical formula C₂₅H₄₉O₁₂P
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
572.296163638
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₄₉O₁₂P
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canonical SMILES
O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC
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found in taxon
asparagus
1 reference
stated in
Plant Metabolomics: Evaluation of different Extraction Parameters for Nontargeted UPLC-ESI-QTOF-Mass Spectrometry at the Example of white Asparagus officinalis
Nicotiana tabacum
1 reference
stated in
Nontargeted metabolite profiling in compatible pathogen-inoculated tobacco (Nicotiana tabacum L. cv. Wisconsin 38) using UPLC-Q-TOF/MS.
Identifiers
InChI
InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)
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InChIKey
UOXRPRZMAROFPH-UHFFFAOYSA-N
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PubChem CID
74819149
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
77758900
1 reference
stated in
UniChem
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