(Q104375475)

English

(3S)-3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

group of stereoisomers with the chemical formula C₂₅H₂₂O₁₀

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Statements

instance of

group of stereoisomers

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1 reference

482.12129690399985 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₅H₂₂O₁₀

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C4OC(C5=CC=C(O)C(OC)=C5)C(OC4=C3)CO)C1O

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isomeric SMILES

COc1cc(C2Oc3ccc(C4Oc5cc(O)cc(O)c5C(=O)[C@H]4O)cc3OC2CO)ccc1O

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found in taxon

Silybum marianum

6 references

stated in

Effect of Spacing and Fertilization on the Yield and Active Constituents of Milk Thistle,Silybum marianum

stated in

Flavonolignan production from Silybum marianum transformed and untransformed root cultures

stated in

Determination of active component in silymarin by RP-LC and LC/MS

stated in

Determination of silymarine in the extract from the dried silybum marianum fruits by high performance liquid chromatography and capillary electrophoresis

stated in

Flavonolignans, Kaempferol 3-Sulphate and Other Flavonoids from Silybum marianum subsp. anatolicum

stated in

PREPARATIVE SEPARATION OF FRUIT EXTRACT OF SILYBUM MARIANUM USING A HIGH-SPEED COUNTERCURRENT CHROMATOGRAPH WITH SCALE-UP COLUMNS

Identifiers

InChI

InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25?/m1/s1

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InChIKey

FDQAOULAVFHKBX-NFUGKBHHSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

FDQAOULAVFHKBX-NFUGKBHHSA-N

1 reference

(Q104375475)

(3S)-3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

Statements

Identifiers

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