(Q105254644)

English

[(2R,3R,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-Hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

604.142820196 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₈O₁₅

0 references

canonical SMILES

O=C(OC1C(O)C(OCCC2=CC=C(O)C=C2)OC(CO)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4

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isomeric SMILES

O=C(O[C@@H]1[C@@H](CO)O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

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found in taxon

Pelargonium reniforme

1 reference

stated in

An ellagitannin, n-butyl gallate, two aryltetralin lignans, and an unprecedented diterpene ester from Pelargonium reniforme

Identifiers

InChI

InChI=1S/C28H28O15/c29-11-20-24(42-26(38)13-7-16(31)21(35)17(32)8-13)25(43-27(39)14-9-18(33)22(36)19(34)10-14)23(37)28(41-20)40-6-5-12-1-3-15(30)4-2-12/h1-4,7-10,20,23-25,28-37H,5-6,11H2/t20-,23-,24-,25-,28+/m1/s1

0 references

InChIKey

SJYKSDLIAYJPDM-XDLMTDFTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SJYKSDLIAYJPDM-XDLMTDFTSA-N

(Q105254644)

[(2R,3R,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate

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