(Q105374146)

English

[(2R,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-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkyl caffeate ester

0 references

mass

492.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,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-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₄O₁₂

0 references

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(O)=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=C/c3ccc(O)c(O)c3)[C@@H](O)[C@@H]2O)C=C1

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found in taxon

Senecio scandens

1 reference

stated in

A new jacaranone derivative from Senecio scandens var. incisus

Senecio scandens var. incisus

1 reference

stated in

A new jacaranone derivative from Senecio scandens var. incisus

Delairea odorata

1 reference

stated in

A new jacaranone derivative from Senecio scandens var. incisus

Identifiers

InChI

InChI=1S/C23H24O12/c24-13-5-7-23(32,8-6-13)10-18(28)33-11-16-19(29)20(30)21(22(31)34-16)35-17(27)4-2-12-1-3-14(25)15(26)9-12/h1-9,16,19-22,25-26,29-32H,10-11H2/b4-2+/t16-,19-,20+,21-,22-/m1/s1

0 references

InChIKey

ZFGSMBPBMKZCPY-XDTWIQQOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZFGSMBPBMKZCPY-XDTWIQQOSA-N

(Q105374146)

[(2R,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-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

Identifiers

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