(2E,5Z)-2-[(4E)-6-hydroxy-4-methylhex-4-en-1-ylidene]-6-(hydroxymethyl)-10-methylundeca-5,9-dienoic acid (Q104968292)

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chemical compound

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Language	Label	Description	Also known as
English	(2E,5Z)-2-[(4E)-6-hydroxy-4-methylhex-4-en-1-ylidene]-6-(hydroxymethyl)-10-methylundeca-5,9-dienoic acid	chemical compound

Statements

instance of

type of chemical entity

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subclass of

fatty alcohol

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fatty acid

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phytane diterpenoid

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mass

336.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₄

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canonical SMILES

O=C(O)C(=CCCC(=CCO)C)CCC=C(CO)CCC=C(C)C

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isomeric SMILES

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

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found in taxon

Microglossa pyrifolia

2 references

stated in

Diterpenes and sesquiterpene xylosides from east africanConyza species

stated in

Rearranged clerodanes and other diterpenes fromMicroglossa pyrrhopappa

Identifiers

InChI

InChI=1S/C20H32O4/c1-16(2)7-4-9-18(15-22)10-6-12-19(20(23)24)11-5-8-17(3)13-14-21/h7,10-11,13,21-22H,4-6,8-9,12,14-15H2,1-3H3,(H,23,24)/b17-13+,18-10-,19-11+

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InChIKey

CQVPQVUCJIFYMK-HMEICLBBSA-N

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PubChem CID

14707197

1 reference

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00022455

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CQVPQVUCJIFYMK-HMEICLBBSA-N

 

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