(Q105160949)

English

[(3aR,4S,5R,6S,7S,7aR)-6-ethenyl-4-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl] 2-methylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-ethenyl-4-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₆

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canonical SMILES

O=CC(=C)C1C(O)C2C(=C)C(=O)OC2C(OC(=O)C(=C)C)C1(C=C)C

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isomeric SMILES

C=C[C@]1(C)[C@H](OC(=O)C(=C)C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H]1C(=C)C=O

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found in taxon

Zinnia elegans

1 reference

stated in

Eudesmanolides, guaianolides, germacranolides and elemanolides from Zinnia species

Zinnia violacea

1 reference

stated in

Eudesmanolides, guaianolides, germacranolides and elemanolides from Zinnia species

Zinnia peruviana

1 reference

stated in

Eudesmanolides, guaianolides, germacranolides and elemanolides from Zinnia species

Identifiers

InChI

InChI=1S/C19H22O6/c1-7-19(6)13(10(4)8-20)14(21)12-11(5)18(23)24-15(12)16(19)25-17(22)9(2)3/h7-8,12-16,21H,1-2,4-5H2,3,6H3/t12-,13-,14-,15-,16-,19+/m1/s1

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InChIKey

MBTKWQKXNBPYQO-MEVSORIUSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105160949)

[(3aR,4S,5R,6S,7S,7aR)-6-ethenyl-4-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl] 2-methylprop-2-enoate

Statements

Identifiers

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