(Q82956219)

English

[(1S,2S,4S,5S,6R,10S)-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] 3,4-dimethoxybenzoate

chemical compound

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instance of

type of chemical entity

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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 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

526.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,4S,5S,6S,10S)-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] 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₀O₁₃

0 references

canonical SMILES

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

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isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC

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found in taxon

Catalpa bignonioides

1 reference

stated in

Iridoids from Catalpa bignonioides

Veronica cymbalaria

1 reference

stated in

Iridoid glucosides from Plantago cornuti, Plantago major and Veronica cymbalaria

Veronica kellereri

2 references

stated in

Iridoid glucosides from three veronica species

stated in

Iridoid glucosides from three veronica species

Veronica persica

1 reference

stated in

Phenylethanoid and iridoid glycosides from Veronica persica

Catalpa ovata

1 reference

stated in

Peroxynitrite-Scavenging Glycosides from the Stem Bark of Catalpa ovata

Penstemon barbatus

1 reference

stated in

In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis

Castilleja tenuiflora

1 reference

stated in

In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis

Vitex mollis

1 reference

stated in

In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis

Identifiers

InChI

InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)35-19-11-5-6-33-22(15(11)24(9-26)20(19)37-24)36-23-18(29)17(28)16(27)14(8-25)34-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16-,17+,18-,19+,20+,22+,23+,24-/m1/s1

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InChIKey

JPLOCWOFCUFHBG-PIAIVMLOSA-N

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0 references

1 reference

matched by identifier from

InChIKey

JPLOCWOFCUFHBG-PIAIVMLOSA-N

1 reference

1 reference

matched by identifier from

InChIKey

JPLOCWOFCUFHBG-PIAIVMLOSA-N

DSSTOX compound identifier

DTXCID701399920

0 references

(Q82956219)

[(1S,2S,4S,5S,6R,10S)-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] 3,4-dimethoxybenzoate

Statements

Identifiers

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