(Q105163746)

English

(2R,3S,4S)-4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

chemical compound

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instance of

type of chemical entity

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subclass of

4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

1 reference

based on heuristic

inferred from SMILES

mass

732.151276704 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S)-4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₃₂O₁₄S

0 references

canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC(O)=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC(O)=C(O)C(O)=C6)C(O)C5SCC=7C=CC=CC7)C1

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isomeric SMILES

Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2SCc1ccccc1

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found in taxon

Dorycnium rectum

1 reference

stated in

Variation in antimicrobial action of proanthocyanidins from Dorycnium rectum against rumen bacteria

Lotus rectus

1 reference

stated in

Variation in antimicrobial action of proanthocyanidins from Dorycnium rectum against rumen bacteria

Lotus krylovii

1 reference

stated in

Variation in antimicrobial action of proanthocyanidins from Dorycnium rectum against rumen bacteria

Lotus tenuis

1 reference

stated in

Variation in antimicrobial action of proanthocyanidins from Dorycnium rectum against rumen bacteria

Identifiers

InChI

InChI=1S/C37H32O14S/c38-17-10-18(39)26-25(11-17)50-34(15-6-21(42)30(46)22(43)7-15)32(48)29(26)27-19(40)12-20(41)28-36(27)51-35(16-8-23(44)31(47)24(45)9-16)33(49)37(28)52-13-14-4-2-1-3-5-14/h1-12,29,32-35,37-49H,13H2/t29-,32-,33+,34-,35-,37+/m1/s1

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InChIKey

MHDXEEOQVCHYHL-PPZQNTCDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105163746)

(2R,3S,4S)-4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

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