(Q105344275)

English

[6-[(4-Ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₂₅H₂₈O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

1 reference

536.152990956 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₁₃

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canonical SMILES

O=C(OC1C(O)C(O)C(OC2OC=C3C(=O)OCCC3(O)C2C=C)OC1CO)C=CC4=CC=C(O)C(O)=C4

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found in taxon

Swertia mileensis

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stated in

Secoiridoid Glycosides fromSwertia mileensis

Identifiers

InChI

InChI=1S/C25H28O13/c1-2-13-23(35-11-14-22(32)34-8-7-25(13,14)33)38-24-20(31)19(30)21(17(10-26)36-24)37-18(29)6-4-12-3-5-15(27)16(28)9-12/h2-6,9,11,13,17,19-21,23-24,26-28,30-31,33H,1,7-8,10H2

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InChIKey

XXXYWVBHDRFERD-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXXYWVBHDRFERD-UHFFFAOYSA-N

(Q105344275)

[6-[(4-Ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

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