(Q105338988)

English

(2S,3S)-2-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-[3,5-Dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one

1 reference

based on heuristic

inferred from SMILES

mass

548.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2,3-Dihydro-2beta-[4-(alpha-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-3alpha-(hydroxymethyl)-9H-pyrano[2,3-f]-1,4-benzodioxin-9-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₆H₂₈O₁₃

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canonical SMILES

O=C1OC=2C=3OC(C4=CC(OC)=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4)C(OC3C=CC2C=C1)CO

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isomeric SMILES

COc1cc([C@@H]2Oc3c(ccc4ccc(=O)oc34)O[C@H]2CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Daphne feddei

1 reference

stated in

Phenylpropanoids from Daphne feddei and their inhibitory activities against NO production

Identifiers

InChI

InChI=1S/C26H28O13/c1-33-14-7-12(8-15(34-2)24(14)39-26-21(32)20(31)19(30)16(9-27)36-26)22-17(10-28)35-13-5-3-11-4-6-18(29)37-23(11)25(13)38-22/h3-8,16-17,19-22,26-28,30-32H,9-10H2,1-2H3/t16-,17+,19-,20+,21-,22+,26+/m1/s1

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InChIKey

XPTBWNONWRJVGI-BZNBQQBJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XPTBWNONWRJVGI-BZNBQQBJSA-N

(Q105338988)

(2S,3S)-2-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one

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