(Q105005851)

English

3,4-Dihydroxy-5-[(S)-1,2,2-trimethylcyclopentyl]benzoic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 3,4-dihydroxy-5-(1,2,2-trimethylcyclopentyl)benzoate

1 reference

based on heuristic

inferred from SMILES

mass

278.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₂O₄

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canonical SMILES

O=C(OC)C1=CC(O)=C(O)C(=C1)C2(C)CCCC2(C)C

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isomeric SMILES

COC(=O)c1cc(O)c(O)c([C@@]2(C)CCCC2(C)C)c1

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found in taxon

Herbertus aduncus

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stated in

Herbertane sesquiterpenoids from the liverworts Herbertus aduncus and H. borealis

Identifiers

InChI

InChI=1S/C16H22O4/c1-15(2)6-5-7-16(15,3)11-8-10(14(19)20-4)9-12(17)13(11)18/h8-9,17-18H,5-7H2,1-4H3/t16-/m1/s1

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InChIKey

GBHHPTZARQQNFO-MRXNPFEDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GBHHPTZARQQNFO-MRXNPFEDSA-N

1 reference

(Q105005851)

3,4-Dihydroxy-5-[(S)-1,2,2-trimethylcyclopentyl]benzoic acid methyl ester

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Identifiers

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