(Q105004497)

English

[(10R,11S,12S,13R,15S)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3,4,5,11,12,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl) 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

634.080613864 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(10R,11R,12S,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₂O₁₈

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canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C4=CC(O)=C(O)C(O)=C4C=5C(O)=C(O)C(O)=CC15

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isomeric SMILES

O=C(O[C@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

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found in taxon

Chinese peony

1 reference

stated in

Paeonianins A-E, new dimeric and monomeric ellagitannins from the fruits of Paeonia lactiflora

Pelargonium reniforme

1 reference

stated in

Pelargoniins, new ellagitannins from Pelargonium reniforme

Punica granatum

1 reference

stated in

Diverse Phytochemicals and Bioactivities in the Ancient Fruit and Modern Functional Food Pomegranate (Punica granatum).

Camellia sinensis

3 references

stated in

Identifiers

InChI

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m0/s1

0 references

InChIKey

FYIJLTSMNXUNLT-RXRHLBNPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYIJLTSMNXUNLT-RXRHLBNPSA-N

1 reference

(Q105004497)

[(10R,11S,12S,13R,15S)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate

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