(Q110174711)

English

(1S,3S,4R,5S)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3-dihydroxy-5-(4-hydroxy-3,5-dimethoxybenzoyl)oxycyclohexane-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

534.137340892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₆O₁₃

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canonical SMILES

O=C(OC1C(O)CC(O)(C(=O)O)CC1OC(=O)C2=CC(OC)=C(O)C(OC)=C2)C=CC3=CC=C(O)C(O)=C3

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isomeric SMILES

COc1cc(C(=O)O[C@H]2C[C@](O)(C(=O)O)C[C@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc(OC)c1O

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found in taxon

Erycibe hainanensis

1 reference

stated in

Hepatoprotective constituents from the roots and stems of Erycibe hainanesis

Identifiers

InChI

InChI=1S/C25H26O13/c1-35-17-8-13(9-18(36-2)21(17)30)23(31)37-19-11-25(34,24(32)33)10-16(28)22(19)38-20(29)6-4-12-3-5-14(26)15(27)7-12/h3-9,16,19,22,26-28,30,34H,10-11H2,1-2H3,(H,32,33)/b6-4+/t16-,19-,22+,25-/m0/s1

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InChIKey

PYGQEDZSTFIHHP-FXSUHYAKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PYGQEDZSTFIHHP-FXSUHYAKSA-N

1 reference

(Q110174711)

(1S,3S,4R,5S)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3-dihydroxy-5-(4-hydroxy-3,5-dimethoxybenzoyl)oxycyclohexane-1-carboxylic acid

Statements

Identifiers

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