(Q105284189)

English

(E)-3-[(2S,3S)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal

chemical compound

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instance of

type of chemical entity

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subclass of

2-Propenal, 3-[2'-(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3,3'-bis(hydroxymethyl)[2,6'-bi-1,4-benzodioxin]-7-yl]-

1 reference

based on heuristic

inferred from SMILES

mass

492.142032348 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₄O₉

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canonical SMILES

O=CC=CC1=CC=C2OC(CO)C(OC2=C1)C3=CC=C4OC(C5=CC=C(O)C(O)=C5)C(OC4=C3)CO

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isomeric SMILES

O=C/C=C/c1ccc2c(c1)O[C@@H](c1ccc3c(c1)O[C@@H](CO)[C@@H](c1ccc(O)c(O)c1)O3)[C@H](CO)O2

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found in taxon

Phytolacca americana

1 reference

stated in

The structure of new lignans from the seeds of phytolacca americana

Identifiers

InChI

InChI=1S/C27H24O9/c28-9-1-2-15-3-7-20-22(10-15)36-27(24(13-29)33-20)17-5-8-21-23(12-17)34-25(14-30)26(35-21)16-4-6-18(31)19(32)11-16/h1-12,24-27,29-32H,13-14H2/b2-1+/t24-,25-,26+,27-/m0/s1

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InChIKey

VDIFGESBHJLSFS-UCNWCYRTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VDIFGESBHJLSFS-UCNWCYRTSA-N

(Q105284189)

(E)-3-[(2S,3S)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal

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