(Q104933663)

English

[(1S,4aR,6S,7R,7aR)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

522.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-O-(4-Hydroxycinnamoyl)tecomoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₁₂

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canonical SMILES

O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(OC(=O)C=CC4=CC=C(O)C=C4)CC13O

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isomeric SMILES

C[C@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12

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found in taxon

Tecoma capensis

1 reference

stated in

New Iridoid Glucosides from Tecoma capensis

Identifiers

InChI

InChI=1S/C25H30O12/c1-12-16(35-18(29)7-4-13-2-5-15(28)6-3-13)8-25(33)14(9-26)11-34-23(19(12)25)37-24-22(32)21(31)20(30)17(10-27)36-24/h2-7,9,11-12,16-17,19-24,27-28,30-33H,8,10H2,1H3/b7-4+/t12-,16-,17-,19-,20+,21+,22-,23-,24-,25-/m0/s1

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InChIKey

BEWQAFYRLCLDCO-GWRPGWMBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BEWQAFYRLCLDCO-GWRPGWMBSA-N

(Q104933663)

[(1S,4aR,6S,7R,7aR)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Identifiers

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