(Q105011272)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-Hydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dimethoxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

492.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Cirsiliol 4 inverted exclamation marka-glucoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₄O₁₂

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canonical SMILES

O=C1C=C(OC=2C=C(OC)C(OC)=C(O)C12)C=3C=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C3

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isomeric SMILES

COc1cc2oc(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)c(O)c3)cc(=O)c2c(O)c1OC

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found in taxon

Cirsium lineare

1 reference

stated in

Two new flavone glycosides from Cirsium lineare

Sium suave

1 reference

stated in

Two new flavone glycosides from Cirsium lineare

Identifiers

InChI

InChI=1S/C23H24O12/c1-31-15-7-14-17(19(28)22(15)32-2)11(26)6-13(33-14)9-3-4-12(10(25)5-9)34-23-21(30)20(29)18(27)16(8-24)35-23/h3-7,16,18,20-21,23-25,27-30H,8H2,1-2H3/t16-,18-,20+,21-,23-/m0/s1

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InChIKey

GLTCTFBPNQJRQT-UTMPCQRGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GLTCTFBPNQJRQT-UTMPCQRGSA-N

1 reference

(Q105011272)

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

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