(Q105123876)

English

[(1S,2S,4S,5S,6R,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl 4-hydroxy-3-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

iridoid

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mass

512.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₁₃

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canonical SMILES

O=C(OCC12OC2C(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C31)C5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(C(=O)OC[C@]23O[C@H]2[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]23)ccc1O

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found in taxon

Veronica cymbalaria

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stated in

Iridoid glucosides from Plantago cornuti, Plantago major and Veronica cymbalaria

Identifiers

InChI

InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)25)20(30)33-8-23-14-10(15(26)19(23)36-23)4-5-32-21(14)35-22-18(29)17(28)16(27)13(7-24)34-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15+,16-,17+,18-,19+,21+,22+,23-/m1/s1

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InChIKey

JANLDILJJLTVDB-KVBCGVIQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JANLDILJJLTVDB-KVBCGVIQSA-N

1 reference

(Q105123876)

[(1S,2S,4S,5S,6R,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl 4-hydroxy-3-methoxybenzoate

Statements

Identifiers

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