(Q105272883)

English

(2Z)-2-[(3S,4aR,8R,8aS)-3-hydroxy-3-methoxy-8,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-2-ylidene]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[(2Z)-3-hydroxy-3-methoxy-8,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-2-ylidene]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

294.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₂O₅

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canonical SMILES

O=C(O)C(=C1CC2(C)C(C(=O)C=CC2CC1(O)OC)C)C

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isomeric SMILES

CO[C@@]1(O)C[C@@H]2C=CC(=O)[C@H](C)[C@@]2(C)C/C1=C(\C)C(=O)O

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found in taxon

Senecio pseudoorientalis

1 reference

stated in

New Sesquiterpenes from Senecio species

Identifiers

InChI

InChI=1S/C16H22O5/c1-9(14(18)19)12-8-15(3)10(2)13(17)6-5-11(15)7-16(12,20)21-4/h5-6,10-11,20H,7-8H2,1-4H3,(H,18,19)/b12-9-/t10-,11-,15+,16-/m0/s1

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InChIKey

UHHGRWMKYDCKAJ-IYOVNXGGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UHHGRWMKYDCKAJ-IYOVNXGGSA-N

(Q105272883)

(2Z)-2-[(3S,4aR,8R,8aS)-3-hydroxy-3-methoxy-8,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-2-ylidene]propanoic acid

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Identifiers

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