(Q105157327)

English

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-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

5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one

1 reference

based on heuristic

inferred from SMILES

mass

418.126382284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₉

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canonical SMILES

O=C1C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2OC(C4=CC=C(O)C=C4)C1

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isomeric SMILES

C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Tanacetum sibiricum

1 reference

stated in

Flavanones ofTanacetum sibiricum

Filifolium sibiricum

1 reference

stated in

Flavanones ofTanacetum sibiricum

Identifiers

InChI

InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)29-12-6-13(23)17-14(24)8-15(30-16(17)7-12)10-2-4-11(22)5-3-10/h2-7,9,15,18-23,25-27H,8H2,1H3/t9-,15-,18-,19+,20+,21-/m0/s1

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InChIKey

LUCQSVLCPJUJRN-QHPBTUDUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LUCQSVLCPJUJRN-QHPBTUDUSA-N

(Q105157327)

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

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