(Q105182518)

English

[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(E)-3-[(2S,3S)-3-(hydroxymethyl)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic benzofuran

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mass

662.257456024 dalton

1 reference

1 reference

C₃₃H₄₂O₁₄

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canonical SMILES

O=C(OCC1OC(OCC=CC2=CC(OC)=C3OC(C4=CC(OC)=C(OC)C(OC)=C4)C(C3=C2)CO)C(O)C(O)C1O)C(=C)CCO

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isomeric SMILES

C=C(CCO)C(=O)OC[C@@H]1O[C@H](OC/C=C/c2cc(OC)c3c(c2)[C@@H](CO)[C@@H](c2cc(OC)c(OC)c(OC)c2)O3)[C@@H](O)[C@H](O)[C@@H]1O

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found in taxon

Coptis japonica

1 reference

stated in

In vitro antiinflammatory effects of neolignan woorenosides from the rhizomes of Coptis japonica

Identifiers

InChI

InChI=1S/C33H42O14/c1-17(8-9-34)32(39)45-16-25-26(36)27(37)28(38)33(46-25)44-10-6-7-18-11-20-21(15-35)29(47-30(20)22(12-18)40-2)19-13-23(41-3)31(43-5)24(14-19)42-4/h6-7,11-14,21,25-29,33-38H,1,8-10,15-16H2,2-5H3/b7-6+/t21-,25+,26-,27-,28+,29-,33+/m1/s1

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InChIKey

NODYDDIWONUPOD-VTCDZIDPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NODYDDIWONUPOD-VTCDZIDPSA-N

(Q105182518)

[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(E)-3-[(2S,3S)-3-(hydroxymethyl)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

Statements

Identifiers

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