(Q110179130)

English

[(3aR,7aR)-6-oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-Oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

258.089208928 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₄O₄

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canonical SMILES

O=C(OC12C=CC(=O)CC2OCC1)C=3C=CC=CC3

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isomeric SMILES

O=C1C=C[C@]2(OC(=O)c3ccccc3)CCO[C@@H]2C1

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found in taxon

Cornus controversa

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stated in

Halleridone, a cytotoxic constituent from Cornus controversa

Identifiers

InChI

InChI=1S/C15H14O4/c16-12-6-7-15(8-9-18-13(15)10-12)19-14(17)11-4-2-1-3-5-11/h1-7,13H,8-10H2/t13-,15+/m1/s1

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InChIKey

AWTQPQNEEIQTNJ-HIFRSBDPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AWTQPQNEEIQTNJ-HIFRSBDPSA-N

1 reference

(Q110179130)

[(3aR,7aR)-6-oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] benzoate

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Identifiers

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