(Q105326097)

English

3-[3-[[(2E)-3,7-Dimethyl-2,6-octadien]-1-yl]-2,4,6-trihydroxy-5-acetylbenzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

2,6-dimethyloctane monoterpenoid

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biogenic alkylphenol

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mass

456.214803364 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₇

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canonical SMILES

O=C1OC(=C(C(O)=C1CC=2C(O)=C(C(O)=C(C2O)CC=C(C)CCC=C(C)C)C(=O)C)C)C

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isomeric SMILES

CC(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(Cc2c(O)c(C)c(C)oc2=O)c1O

1 reference

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Constituents of Helichrysum stoechas variety olonnense

Identifiers

InChI

InChI=1S/C26H32O7/c1-13(2)8-7-9-14(3)10-11-18-23(29)19(25(31)21(16(5)27)24(18)30)12-20-22(28)15(4)17(6)33-26(20)32/h8,10,28-31H,7,9,11-12H2,1-6H3/b14-10+

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InChIKey

XDWJPXFMAFTWGJ-GXDHUFHOSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XDWJPXFMAFTWGJ-GXDHUFHOSA-N

1 reference

(Q105326097)

3-[3-[[(2E)-3,7-Dimethyl-2,6-octadien]-1-yl]-2,4,6-trihydroxy-5-acetylbenzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one

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Identifiers

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