(Q104919021)

English

(2S,6Z,10E)-6-(acetyloxymethyl)-12-hydroxy-10-methyl-2-(4-methylpent-3-enyl)dodeca-6,10-dienoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

fatty alcohol

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biogenic acyclic ester

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fatty acid

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phytane diterpenoid

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mass

380.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₅

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canonical SMILES

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

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isomeric SMILES

CC(=O)OC/C(=C\CC/C(C)=C/CO)CCC[C@@H](CCC=C(C)C)C(=O)O

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found in taxon

Pteronia divaricata

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stated in

Diterpenes and other constituents from Pteronia species

Identifiers

InChI

InChI=1S/C22H36O5/c1-17(2)8-5-12-21(22(25)26)13-7-11-20(16-27-19(4)24)10-6-9-18(3)14-15-23/h8,10,14,21,23H,5-7,9,11-13,15-16H2,1-4H3,(H,25,26)/b18-14+,20-10-/t21-/m1/s1

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InChIKey

AUMDPBYYQXKEIR-FYGMRNDYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AUMDPBYYQXKEIR-FYGMRNDYSA-N

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