(Q105030355)

English

(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2,3-dihydrochromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

450.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₁₁

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canonical SMILES

O=C1C=2C(OC(C3=CC=C(O)C(O)=C3)C1)=CC(O)=CC2OC4C(O)OC(CO)C(O)C4O

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isomeric SMILES

O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O)c21

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found in taxon

Cyclopia intermedia

1 reference

stated in

Polyphenols from Honeybush tea (Cyclopia intermedia).

Identifiers

InChI

InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(21(29)32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-5,13,16,18-25,27-29H,6-7H2/t13-,16+,18+,19-,20+,21+/m0/s1

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InChIKey

HLWFWCCEDRONPH-ITSUVCJSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HLWFWCCEDRONPH-ITSUVCJSSA-N

(Q105030355)

(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2,3-dihydrochromen-4-one

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