(Q104934403)

English

(E)-4-[(1S,3R,4R,6R)-4-hydroxy-2,2,6-trimethyl-3-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one

group of stereoisomers with the chemical formula C₁₉H₃₀O₉

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Statements

instance of

group of stereoisomers

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1 reference

402.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₃₀O₉

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canonical SMILES

O=C(C=CC12OC2(C)CC(O)C(OC3OC(CO)C(O)C(O)C3O)C1(C)C)C

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isomeric SMILES

CC(=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)[C@H](OC1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2(C)C

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found in taxon

Caroxylon tetrandrum

1 reference

stated in

Phytochemical Constituents from Salsola tetrandra

Identifiers

InChI

InChI=1S/C19H30O9/c1-9(21)5-6-19-17(2,3)15(10(22)7-18(19,4)28-19)27-16-14(25)13(24)12(23)11(8-20)26-16/h5-6,10-16,20,22-25H,7-8H2,1-4H3/b6-5+/t10-,11+,12+,13-,14+,15+,16?,18-,19+/m1/s1

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InChIKey

BFLLXOGGWRRMBS-WRFNWTLGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BFLLXOGGWRRMBS-WRFNWTLGSA-N

(Q104934403)

(E)-4-[(1S,3R,4R,6R)-4-hydroxy-2,2,6-trimethyl-3-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one

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Identifiers

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