(Q104957305)

English

(3S)-5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-8-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

754.195643616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₈O₂₀

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canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC2=C(O)C(OC3OC(C)C(O)C(O)C3O)=C(O)C=4C(=O)C=C(OC24)C=5C=CC(O)=CC5)C(O)C(O)C1O

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isomeric SMILES

C[C@@H]1O[C@@H](Oc2c(O)c(O[C@@H]3O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Glycyrrhiza eurycarpa

1 reference

stated in

An acylated flavone C-glycoside from Glycyrrhiza eurycarpa

Glycyrrhiza inflata

1 reference

stated in

An acylated flavone C-glycoside from Glycyrrhiza eurycarpa

Identifiers

InChI

InChI=1S/C33H38O20/c1-11-20(39)23(42)25(44)31(49-11)52-29-22(41)19-14(35)7-15(12-3-5-13(34)6-4-12)50-28(19)30(27(29)46)53-32-26(45)24(43)21(40)16(51-32)10-48-18(38)9-33(2,47)8-17(36)37/h3-7,11,16,20-21,23-26,31-32,34,39-47H,8-10H2,1-2H3,(H,36,37)/t11-,16+,20-,21+,23+,24-,25+,26+,31-,32-,33-/m0/s1

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InChIKey

CFZLCLAXQBWEHQ-LJNKWJCLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CFZLCLAXQBWEHQ-LJNKWJCLSA-N

(Q104957305)

(3S)-5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

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Identifiers

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