(Q105208773)

English

[(2S,3S,4S,5S,6S)-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-({2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

490.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-6-[[6-O-Acetyl-beta-D-glucopyranosyl]oxy]-3',4',7-trihydroxyaurone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₂O₁₂

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canonical SMILES

O=C(OCC1OC(OC2=CC=C3C(=O)C(OC3=C2O)=CC4=CC=C(O)C(O)=C4)C(O)C(O)C1O)C

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isomeric SMILES

CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2O)O/C(=C\c2ccc(O)c(O)c2)C3=O)[C@@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Bidens pilosa

1 reference

stated in

New aurone glucosides and new phenylpropanoid glucosides from Bidens pilosa.

Identifiers

InChI

InChI=1S/C23H22O12/c1-9(24)32-8-16-18(28)20(30)21(31)23(35-16)34-14-5-3-11-17(27)15(33-22(11)19(14)29)7-10-2-4-12(25)13(26)6-10/h2-7,16,18,20-21,23,25-26,28-31H,8H2,1H3/b15-7-/t16-,18+,20-,21-,23+/m0/s1

0 references

InChIKey

PGXKNQZGYHXZPC-XMUSADDESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PGXKNQZGYHXZPC-XMUSADDESA-N

(Q105208773)

[(2S,3S,4S,5S,6S)-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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Identifiers

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