(Q105019380)

English

[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

flavone

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mass

664.200335072 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₆O₁₆

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canonical SMILES

O=C(OC1C(O)C(OCC2OC(OC3=CC=4OC(=CC(=O)C4C(O)=C3OC)C=5C=CC(OC)=CC5)C(O)C(O)C2O)OC(C)C1O)C

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isomeric SMILES

COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

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found in taxon

Linaria japonica

1 reference

stated in

Isolation of Isolinariins A and B, New Flavonoid Glycosides from Linaria japonica

Identifiers

InChI

InChI=1S/C31H36O16/c1-12-22(34)29(44-13(2)32)27(39)30(43-12)42-11-20-23(35)25(37)26(38)31(47-20)46-19-10-18-21(24(36)28(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22-23,25-27,29-31,34-39H,11H2,1-4H3/t12-,20+,22-,23-,25-,26+,27+,29+,30+,31+/m0/s1

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InChIKey

GTRUGOOORRXMOB-GVTBVCFLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105019380)

[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] acetate

Statements

Identifiers

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