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(Q104169832)
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English
2-hydroxy-N-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)heptadecanimidic acid
group of stereoisomers with the chemical formula C₄₂H₇₉NO₉
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
742.0796
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₂H₇₉NO₉
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canonical SMILES
CCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCC
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Identifiers
InChI
InChI=1S/C42H79NO9/c1-4-6-8-10-12-13-14-15-16-17-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-18-11-9-7-5-2/h26,28-29,34-40,42,44-49H,4-25,27,30-32H2,1-3H3,(H,43,50)
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InChIKey
JSPNNZKWADNWHI-UHFFFAOYSA-N
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PubChem CID
77913729
1 reference
matched by identifier from
InChIKey
InChIKey
JSPNNZKWADNWHI-UHFFFAOYSA-N
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