(Q105022272)

English

(2S,3R,4R,5S)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol

chemical compound

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1 reference

552.220676592 dalton

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2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4S,5R)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3S,4S,5S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2S,3R,4S,5R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₁₂

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canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2C3=C(OC)C(O)=C(OC)C=C3CC(CO)C2COC4OCC(O)C(O)C4O

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isomeric SMILES

COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O

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found in taxon

Aphanamixis polystachya

1 reference

stated in

A new lignan from Aphanamixis polystachya

Neoalsomitra clavigera

1 reference

stated in

Lignan glycosides from Neoalsomitra integrifoliola

Neoalsomitra integrifoliola

1 reference

stated in

Lignan glycosides from Neoalsomitra integrifoliola

Saraca asoca

1 reference

stated in

Lignan glycosides and flavonoids from Saraca asoca with antioxidant activity

Identifiers

InChI

InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16 ,20 ,22-,25-,27 /m1/s1

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InChIKey

GWDZRGQRNHELQM-QWMLTHFVSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105022272)

(2S,3R,4R,5S)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol

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