(Q105141730)

English

[(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 (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[(4a,5,7-Trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

494.17881178 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₁₁

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canonical SMILES

O=C(OCC1OC(OC2OC=CC3(O)C(O)CC(O)(C)C23)C(O)C(O)C1O)C=CC=4C=CC=CC4

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isomeric SMILES

C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)/C=C/c4ccccc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

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found in taxon

Scrophularia ningpoensis

1 reference

stated in

A new iridoid glycoside from Scrophularia ningpoensis

Identifiers

InChI

InChI=1S/C24H30O11/c1-23(30)11-15(25)24(31)9-10-32-22(20(23)24)35-21-19(29)18(28)17(27)14(34-21)12-33-16(26)8-7-13-5-3-2-4-6-13/h2-10,14-15,17-22,25,27-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1

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InChIKey

KIYJOXJZHKKVBS-FMHLWDFHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KIYJOXJZHKKVBS-FMHLWDFHSA-N

1 reference

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(Q105141730)

[(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 (E)-3-phenylprop-2-enoate

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Identifiers

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