(Q110192745)

English

[3,4,5-trihydroxy-6-[[7-(hydroxymethyl)-3-oxo-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methoxy]oxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₂₇H₃₄O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

566.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₃

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canonical SMILES

O=C(OCC1OC(OCC2C(=O)OCC3C(=CCC23)CO)C(O)C(O)C1O)C=CC4=CC(OC)=C(O)C(OC)=C4

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found in taxon

Gardenia jasminoides

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stated in

Bioactive iridoid glucosides from the fruit of Gardenia jasminoides.

Identifiers

InChI

InChI=1S/C27H34O13/c1-35-18-7-13(8-19(36-2)22(18)30)3-6-21(29)37-12-20-23(31)24(32)25(33)27(40-20)39-11-17-15-5-4-14(9-28)16(15)10-38-26(17)34/h3-4,6-8,15-17,20,23-25,27-28,30-33H,5,9-12H2,1-2H3

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InChIKey

MRSXXJYRGDMBIT-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MRSXXJYRGDMBIT-UHFFFAOYSA-N

(Q110192745)

[3,4,5-trihydroxy-6-[[7-(hydroxymethyl)-3-oxo-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methoxy]oxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

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