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 31 35  1  0  0  0  0
 31112  1  0  0  0  0
 31113  1  0  0  0  0
 32 36  1  0  0  0  0
 32114  1  0  0  0  0
 32115  1  0  0  0  0
 33 39  1  0  0  0  0
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 33117  1  0  0  0  0
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 34118  1  0  0  0  0
 34119  1  0  0  0  0
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 35121  1  0  0  0  0
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 39126  1  0  0  0  0
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 66170  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146664161

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1150

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
54

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABACIAKDSCAAAAAAgAAAICAEAAAgBABIAAQACAAAFgAAKAAOLyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-1-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]ethyl] 4-oxoicosanoate

> <PUBCHEM_IUPAC_CAS_NAME>
4-oxoeicosanoic acid 1,3-bis[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propan-2-yl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3-bis[[(9<I>Z</I>,12<I>Z</I>)-octadeca-9,12-dienoyl]oxy]propan-2-yl 4-oxoicosanoate

> <PUBCHEM_IUPAC_NAME>
1,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propan-2-yl 4-oxoicosanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propan-2-yl 4-oxidanylideneicosanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-ketoarachidic acid [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-1-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]ethyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C59H104O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(61)64-53-56(54-65-58(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-59(63)52-51-55(60)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,56H,4-15,18,21-24,27,30-54H2,1-3H3/b19-16-,20-17-,28-25-,29-26-

> <PUBCHEM_IUPAC_INCHIKEY>
JLYIRGNWZKAJGY-XEUHHCTMSA-N

> <PUBCHEM_XLOGP3_AA>
21

> <PUBCHEM_EXACT_MASS>
924.778206

> <PUBCHEM_MOLECULAR_FORMULA>
C59H104O7

> <PUBCHEM_MOLECULAR_WEIGHT>
925.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCC(=O)CCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCC(=O)CCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC

> <PUBCHEM_CACTVS_TPSA>
96

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
924.778206

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
66

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
