(Q104170039)

English

3-Hydroxy-3-methyl-5-[4-(1,2,2-trimethyl-4-oxocyclopentyl)cyclohexa-1,3-diene-1-carbonyl]oxypentanoic acid

group of stereoisomers with the chemical formula C₂₁H₃₀O₆

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Statements

instance of

group of stereoisomers

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subclass of

cuparane sesquiterpenoid

1 reference

inferred from

cuparane sesquiterpenoid

mass

378.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₆

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canonical SMILES

O=C(OCCC(O)(C)CC(=O)O)C1=CC=C(CC1)C2(C)CC(=O)CC2(C)C

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found in taxon

Psilocybe

1 reference

stated in

Deconins A-E: Cuparenic and Mevalonic or Propionic Acid Conjugates from the Basidiomycete Deconica sp. 471.

Agaricus

1 reference

stated in

Deconins A-E: Cuparenic and Mevalonic or Propionic Acid Conjugates from the Basidiomycete Deconica sp. 471.

Identifiers

InChI

InChI=1S/C21H30O6/c1-19(2)11-16(22)12-21(19,4)15-7-5-14(6-8-15)18(25)27-10-9-20(3,26)13-17(23)24/h5,7,26H,6,8-13H2,1-4H3,(H,23,24)

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InChIKey

JZUOBSDSXWOFCX-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JZUOBSDSXWOFCX-UHFFFAOYSA-N

(Q104170039)

3-Hydroxy-3-methyl-5-[4-(1,2,2-trimethyl-4-oxocyclopentyl)cyclohexa-1,3-diene-1-carbonyl]oxypentanoic acid

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Identifiers

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