(Q105169992)

English

1-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propan-2-yl octadeca-9,12-dienoate

group of stereoisomers with the chemical formula C₃₉H₆₈O₅

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Statements

group of stereoisomers

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biogenic acyclic ester

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biogenic acyclic ester

616.506675276 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₈O₅

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canonical SMILES

O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCC=CCC=CCCCCC

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isomeric SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC/C=C/C/C=C/CCCCC

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Identifiers

InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11+,14-12?,19-17+,20-18?

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MQGBAQLIFKSMEM-YNFKSYSKSA-N

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