(Q105215738)

English

(2R,3S,4S)-4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-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

4C-substituted flavan

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4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-6-[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

chemical formula

C₃₇H₃₂O₁₄S

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canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC(O)=C(O)C(O)=C3)C(O)C2C4=C(O)C=C5OC(C6=CC(O)=C(O)C(O)=C6)C(O)C(SCC=7C=CC=CC7)C5=C4O)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)cc2c(c1O)[C@H](SCc1ccccc1)[C@@H](O)[C@@H](c1cc(O)c(O)c(O)c1)O2

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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

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

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InChIKey

PWCJMYDFAUEDCZ-IVINNCRNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PWCJMYDFAUEDCZ-IVINNCRNSA-N

(Q105215738)

(2R,3S,4S)-4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-6-[(2R,3R,4S)-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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