(Q110197989)

English

[2,3,6-Trihydroxy-4,5-bis(2-methylbut-2-enoyloxy)cyclohexyl] 2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₁H₃₀O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

426.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₉

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canonical SMILES

O=C(OC1C(O)C(O)C(OC(=O)C(=CC)C)C(OC(=O)C(=CC)C)C1O)C(=CC)C

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found in taxon

Duhaldea cappa

1 reference

stated in

Inositol angelates from the whole herb of Inula cappa

Identifiers

InChI

InChI=1S/C21H30O9/c1-7-10(4)19(25)28-16-13(22)14(23)17(29-20(26)11(5)8-2)18(15(16)24)30-21(27)12(6)9-3/h7-9,13-18,22-24H,1-6H3

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InChIKey

GQKXMYMGKNYWJQ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GQKXMYMGKNYWJQ-UHFFFAOYSA-N

(Q110197989)

[2,3,6-Trihydroxy-4,5-bis(2-methylbut-2-enoyloxy)cyclohexyl] 2-methylbut-2-enoate

Statements

Identifiers

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