(Q105324357)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

362.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₇

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canonical SMILES

O=CC(=C)C1C(OC(=O)C(=C)C)C2C(=C)C(=O)OC2C(O)C1(C)C3OC3

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isomeric SMILES

C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)C(=O)O[C@H]2[C@@H](O)[C@@](C)([C@@H]2CO2)[C@@H]1C(=C)C=O

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found in taxon

Zinnia peruviana

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stated in

Elemanolides from Zinnia peruviana

Identifiers

InChI

InChI=1S/C19H22O7/c1-8(2)17(22)25-14-12-10(4)18(23)26-15(12)16(21)19(5,11-7-24-11)13(14)9(3)6-20/h6,11-16,21H,1,3-4,7H2,2,5H3/t11-,12+,13+,14+,15+,16+,19-/m0/s1

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InChIKey

XBEWYBVLFVBNQU-ULMQWSDISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBEWYBVLFVBNQU-ULMQWSDISA-N

(Q105324357)

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

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Identifiers

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