(Q110193887)

English

(4R,4aR)-7-acetyl-4-hydroxy-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

234.125594436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₁₈O₃

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canonical SMILES

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

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isomeric SMILES

CC(=O)C1=CC2=C(C)C(=O)C[C@@H](O)[C@]2(C)CC1

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found in taxon

Tussilago farfara

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stated in

Sesquiterpenoids and other constituents from the flower buds of Tussilago farfara

Identifiers

InChI

InChI=1S/C14H18O3/c1-8-11-6-10(9(2)15)4-5-14(11,3)13(17)7-12(8)16/h6,13,17H,4-5,7H2,1-3H3/t13-,14-/m1/s1

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InChIKey

MCUKAMGCUXAEIP-ZIAGYGMSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MCUKAMGCUXAEIP-ZIAGYGMSSA-N

(Q110193887)

(4R,4aR)-7-acetyl-4-hydroxy-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one

Statements

Identifiers

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