(Q105156043)

English

(3E,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylidene]oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3E)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methylidene]oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

532.194461844 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₁₁

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canonical SMILES

O=C1OCC(C1=CC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2)CC4=CC=C(OC)C(OC)=C4

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isomeric SMILES

COc1ccc(C[C@@H]2COC(=O)/C2=C/c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC

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found in taxon

Leuzea carthamoides

1 reference

stated in

Lignan Glucosides and Serotonin Phenylpropanoids from the Seeds of Leuzea carthamoides

Rhaponticum carthamoides

1 reference

stated in

Lignan Glucosides and Serotonin Phenylpropanoids from the Seeds of Leuzea carthamoides

Identifiers

InChI

InChI=1S/C27H32O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,9-11,16,22-25,27-31H,8,12-13H2,1-3H3/b17-9+/t16-,22-,23-,24+,25-,27-/m1/s1

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InChIKey

LRBGFMPMOJKXAX-OKESSKSXSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105156043)

(3E,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylidene]oxolan-2-one

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