(Q105287247)

English

(2Z,5E)-2-[(4Z)-6-(acetyloxy)-4-methylhex-4-en-1-ylidene]-6,10-dimethylundeca-5,9-dienoic acid

chemical compound

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Statements

type of chemical entity

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biogenic acyclic ester

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phytane diterpenoid

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362.245709568 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₄

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canonical SMILES

O=C(O)C(=CCCC(=CCOC(=O)C)C)CCC=C(C)CCC=C(C)C

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isomeric SMILES

CC(=O)OC/C=C(/C)CC/C=C(/CC/C=C(\C)CCC=C(C)C)C(=O)O

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based on heuristic

inferred from InChI

Mikania congesta

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Diterpenes and sesquiterpene lactones from Mikania congesta

Identifiers

InChI=1S/C22H34O4/c1-17(2)9-6-10-18(3)11-7-13-21(22(24)25)14-8-12-19(4)15-16-26-20(5)23/h9,11,14-15H,6-8,10,12-13,16H2,1-5H3,(H,24,25)/b18-11+,19-15-,21-14-

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VJGVQGIETYWOJI-ZOLRCDAZSA-N

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