(Q105212949)

English

[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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476.131861588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₄O₁₁

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canonical SMILES

O=C(OC1C(O)OC(COC(=O)CC2(O)C=CC(=O)C=C2)C(O)C1O)C=CC3=CC=C(O)C=C3

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isomeric SMILES

O=C1C=CC(O)(CC(=O)OC[C@H]2O[C@H](O)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H](O)[C@@H]2O)C=C1

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Senecio scandens

1 reference

A new jacaranone derivative from Senecio scandens var. incisus

Senecio scandens var. incisus

1 reference

A new jacaranone derivative from Senecio scandens var. incisus

Identifiers

InChI=1S/C23H24O11/c24-14-4-1-13(2-5-14)3-6-17(26)34-21-20(29)19(28)16(33-22(21)30)12-32-18(27)11-23(31)9-7-15(25)8-10-23/h1-10,16,19-22,24,28-31H,11-12H2/t16-,19-,20+,21-,22+/m1/s1

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PPLHEUHMQAZJFQ-OSKXVONFSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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