(Q104947832)

English

7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-14-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

chemical compound

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instance of

type of chemical entity

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subclass of

14-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

1 reference

based on heuristic

inferred from SMILES

mass

462.079826016 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-14-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₁₈O₁₂

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canonical SMILES

O=C1OC2=C(O)C(OC)=CC=3C(=O)OC=4C(OC5OC(CO)C(O)C5O)=C(OC)C=C1C4C23

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isomeric SMILES

COc1cc2c(=O)oc3c(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)c(OC)cc4c(=O)oc(c1O)c2c34

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found in taxon

Ovatus malisuctus

1 reference

stated in

Inhibitory constituents of Euscaphis japonica on lipopolysaccharide-induced nitric oxide production in BV2 microglia.

Cornus capitata

1 reference

stated in

An ellagic compound and iridoids from Cornus capitata root cultures

Euscaphis japonica

1 reference

stated in

Inhibitory constituents of Euscaphis japonica on lipopolysaccharide-induced nitric oxide production in BV2 microglia.

Staphylea japonica

1 reference

stated in

Inhibitory constituents of Euscaphis japonica on lipopolysaccharide-induced nitric oxide production in BV2 microglia.

Identifiers

InChI

InChI=1S/C21H18O12/c1-28-8-3-6-11-12-7(19(26)31-17(11)14(8)24)4-9(29-2)16(18(12)32-20(6)27)33-21-15(25)13(23)10(5-22)30-21/h3-4,10,13,15,21-25H,5H2,1-2H3/t10-,13-,15+,21-/m0/s1

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InChIKey

BWZRUCXFULSUGB-GWXMJYEKSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104947832)

7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-14-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

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