(Q105289373)

English

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

chemical compound

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type of chemical entity

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subclass of

3-Hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from SMILES

3-hydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

1 reference

based on heuristic

inferred from SMILES

mass

580.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₁₄

0 references

canonical SMILES

O=C1C2=CC=C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C=C2OC(C5=CC=C(OC)C=C5)C1O

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isomeric SMILES

COc1ccc([C@H]2Oc3cc(O[C@@H]4O[C@H](CO[C@H]5OC[C@@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)ccc3C(=O)[C@H]2O)cc1

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found in taxon

Sophora flavescens

1 reference

stated in

Studies on the Constituents of Sophora flavescens AIT. IV

Identifiers

InChI

InChI=1S/C27H32O14/c1-36-12-4-2-11(3-5-12)25-22(33)18(29)14-7-6-13(8-16(14)40-25)39-27-24(35)21(32)20(31)17(41-27)10-38-26-23(34)19(30)15(28)9-37-26/h2-8,15,17,19-28,30-35H,9-10H2,1H3/t15-,17-,19-,20-,21+,22-,23-,24+,25-,26-,27-/m1/s1

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InChIKey

VMXSTASPQYHBRM-TYOHFPAESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMXSTASPQYHBRM-TYOHFPAESA-N

1 reference

(Q105289373)

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

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