(Q104937819)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[7-(Hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] 3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

506.17881178 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₁₁

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canonical SMILES

O=C(OC1C=C(CO)C2C(OC=CC12)OC3OC(CO)C(O)C(O)C3O)C=CC4=CC=C(OC)C=C4

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isomeric SMILES

COc1ccc(/C=C/C(=O)O[C@@H]2C=C(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)cc1

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found in taxon

Verbascum cheiranthifolium

1 reference

stated in

Iridoid glycosides of Verbascum cheiranthifolium

Identifiers

InChI

InChI=1S/C25H30O11/c1-32-15-5-2-13(3-6-15)4-7-19(28)34-17-10-14(11-26)20-16(17)8-9-33-24(20)36-25-23(31)22(30)21(29)18(12-27)35-25/h2-10,16-18,20-27,29-31H,11-12H2,1H3/b7-4+/t16-,17+,18+,20+,21+,22-,23+,24-,25-/m0/s1

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InChIKey

BKXIJLKRBQTBGI-CCNSVPTQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BKXIJLKRBQTBGI-CCNSVPTQSA-N

(Q104937819)

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

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Identifiers

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