(Q105385228)

English

(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 4-hydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[[5-(4-hydroxybenzoyl)oxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

602.16355564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₀O₁₄

0 references

canonical SMILES

O=C(OCC1OC(OC2OC=CC3C(OC(=O)C4=CC=C(O)C=C4)C5OC5(CO)C23)C(O)C(O)C1O)C6=CC=C(O)C=C6

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isomeric SMILES

O=C(OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1

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found in taxon

Catalpa ovata

1 reference

stated in

Studies on the constituents of Catalpa species. VI. Monoterpene glycosides from the fallen leaves of Catalpa ovata G. Don.

Identifiers

InChI

InChI=1S/C29H30O14/c30-12-29-19-17(23(24(29)43-29)41-26(37)14-3-7-16(32)8-4-14)9-10-38-27(19)42-28-22(35)21(34)20(33)18(40-28)11-39-25(36)13-1-5-15(31)6-2-13/h1-10,17-24,27-28,30-35H,11-12H2/t17-,18-,19-,20-,21+,22-,23+,24+,27+,28+,29-/m1/s1

0 references

InChIKey

ZWTYXFQSLOFTCY-SKVSVBPGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZWTYXFQSLOFTCY-SKVSVBPGSA-N

1 reference

(Q105385228)

(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 4-hydroxybenzoate

Statements

Identifiers

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