(Q105269073)

English

[(2R,3S,4S,5R,6S)-6-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

iridoid

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mass

498.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₁₂

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canonical SMILES

O=C(OCC1OC(OC2OC=CC3C(O)CC(O)(C)C23)C(O)C(O)C1O)C4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C[C@@H]4[C@H]3[C@@](C)(O)C[C@H]4O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

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found in taxon

Monteverdia laevis

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stated in

Chemical constituents from the Colombian medicinal plant Maytenus laevis

Identifiers

InChI

InChI=1S/C23H30O12/c1-23(30)8-13(25)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(34-22)9-33-20(29)10-3-4-12(24)14(7-10)31-2/h3-7,11,13,15-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,13+,15+,16+,17+,18-,19+,21-,22-,23-/m0/s1

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InChIKey

UATKLEJGJXQCCG-CLYWGZERSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UATKLEJGJXQCCG-CLYWGZERSA-N

1 reference

(Q105269073)

[(2R,3S,4S,5R,6S)-6-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

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Identifiers

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