(Q115949682)

English

(1S,2R,3R,4R,6R)-4-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methylcyclohexane-1,2,3-triol

chemical compound

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type of chemical entity

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subclass of

chemical compound

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mass

460.194461844 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₁₁

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canonical SMILES

OC1=CC=C(C=C1O)CCOC2OC(CO)C(O)C(OC3CC(C)C(O)C(O)C3O)C2O

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isomeric SMILES

C[C@@H]1C[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Ruellia patula

1 reference

stated in

Three new flavonoid glycosides, byzantionoside B 6'-O-sulfate and xyloglucoside of (Z)-hex-3-en-1-ol from Ruellia patula

Identifiers

InChI

InChI=1S/C21H32O11/c1-9-6-13(16(26)18(28)15(9)25)31-20-17(27)14(8-22)32-21(19(20)29)30-5-4-10-2-3-11(23)12(24)7-10/h2-3,7,9,13-29H,4-6,8H2,1H3/t9-,13-,14-,15+,16+,17-,18-,19-,20+,21-/m1/s1

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InChIKey

RTWJFKQKLFBMAZ-ANIILPIFSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

RTWJFKQKLFBMAZ-ANIILPIFSA-N

(Q115949682)

(1S,2R,3R,4R,6R)-4-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methylcyclohexane-1,2,3-triol

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Identifiers

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