(Q105266184)

English

[3-Hydroxy-5-(1-hydroxyethenyl)-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate

group of stereoisomers with the chemical formula C₂₁H₃₀O₉

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Statements

instance of

group of stereoisomers

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subclass of

elemane sesquiterpenoid

1 reference

inferred from

elemane sesquiterpenoid

mass

426.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₉

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canonical SMILES

O=C(OC)C(=C)C1C(O)C(C(=C)CO)C(C(O)=C)(C)CC1OC(=O)C(=C)C(O)CO

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found in taxon

Centaurea spinosa

1 reference

stated in

Correction to Sesquiterpene Lactones from Centaurea spinosa and Their Antibacterial and Cytotoxic Activities

Identifiers

InChI

InChI=1S/C21H30O9/c1-10(8-22)17-18(26)16(12(3)19(27)29-6)15(7-21(17,5)13(4)24)30-20(28)11(2)14(25)9-23/h14-18,22-26H,1-4,7-9H2,5-6H3

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InChIKey

TWXCADQDVNDWNH-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105266184)

[3-Hydroxy-5-(1-hydroxyethenyl)-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate

Statements

Identifiers

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