(Q105175975)

English

[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

(2R,4R,5R,10R)-2-(hydroxymethyl)-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-5-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

524.152990956 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,4R,5R,6S,10R)-2-(hydroxymethyl)-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-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₈O₁₃

0 references

canonical SMILES

O=C(OC1C2OC2(CO)C3C(OC=CC13)OC4OC(CO)C(O)C(O)C4O)C=CC5=CC=C(O)C(O)=C5

0 references

isomeric SMILES

O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1[C@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12

0 references

found in taxon

Picrorhiza scrophulariiflora

1 reference

stated in

Three phenylethanoid glycosides and an iridoid glycoside from Picrorhiza scrophulariiflora

Stereospermum cylindricum

1 reference

stated in

Lignan, phenolic and iridoid glycosides from Stereospermum cylindricum

blue water-speedwell

1 reference

stated in

Acylated iridoid glucosides from Veronica anagallis-aquatica

Veronica bellidioides

1 reference

stated in

Iridoid glucosides from three veronica species

Veronica cymbalaria

1 reference

stated in

Iridoid glucosides from Plantago cornuti, Plantago major and Veronica cymbalaria

Veronica officinalis

1 reference

stated in

Verproside, a New Iridoid Glucoside fromVeronica officinalis L. (Scrophulariaceae)

Identifiers

InChI

InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2-/t11-,14+,16+,17+,18+,19-,20-,21-,22-,23-,24+/m0/s1

0 references

InChIKey

MZQXNUBTVLKMLP-GNDPHAPQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MZQXNUBTVLKMLP-GNDPHAPQSA-N

(Q105175975)

[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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