(Q110176401)

English

[(2R,3S,4S,5R,6S)-6-[[(1R,4aR,5S,7R,7aS)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

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

524.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6'-O-p-Methoxy-trans-cinnamoylharpagide

1 reference

based on heuristic

inferred from InChI

6'-O-p-Methoxy-cis-cinnamoylharpagide

1 reference

based on heuristic

inferred from InChI

[(2R,3S,4S,5R,6S)-6-[[(1S,4aR,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

[(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

[(2R,3S,4S,5R,6S)-6-[[(1S,4aR,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₂O₁₂

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canonical SMILES

O=C(OCC1OC(OC2OC=CC3(O)C(O)CC(O)(C)C23)C(O)C(O)C1O)C=CC4=CC=C(OC)C=C4

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isomeric SMILES

COc1ccc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@H]3OC=C[C@]4(O)[C@@H](O)C[C@@](C)(O)[C@H]34)[C@H](O)[C@@H](O)[C@@H]2O)cc1

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found in taxon

Teucrium

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stated in

Antioxidant efficacy of iridoid and phenylethanoid glycosides from the medicinal plant Teucrium chamaedris in cell-free systems

Identifiers

InChI

InChI=1S/C25H32O12/c1-24(31)11-16(26)25(32)9-10-34-23(21(24)25)37-22-20(30)19(29)18(28)15(36-22)12-35-17(27)8-5-13-3-6-14(33-2)7-4-13/h3-10,15-16,18-23,26,28-32H,11-12H2,1-2H3/b8-5+/t15-,16+,18-,19+,20-,21+,22+,23-,24-,25+/m1/s1

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InChIKey

FLGNDYLGJFFGQZ-INWNVKNHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FLGNDYLGJFFGQZ-INWNVKNHSA-N

1 reference

(Q110176401)

[(2R,3S,4S,5R,6S)-6-[[(1R,4aR,5S,7R,7aS)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

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