(Q105289988)

English

[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 7,8,9-trihydroxy-3,5-dioxo-1H,2H-cyclopenta[c]isochromene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

606.085699244 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₂O₁₇

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canonical SMILES

O=C1OC=2C(=O)CC(C(=O)OC3C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)OC(CO)C3O)C2C=5C(O)=C(O)C(O)=CC15

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isomeric SMILES

O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)[C@H]1O)c1cc(O)c(O)c(O)c1

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found in taxon

Macaranga tanarius

1 reference

stated in

Identifiers

InChI

InChI=1S/C26H22O17/c27-5-13-18(34)22(20(36)26(40-13)43-23(37)6-1-9(28)16(32)10(29)2-6)42-25(39)8-4-12(31)21-15(8)14-7(24(38)41-21)3-11(30)17(33)19(14)35/h1-3,8,13,18,20,22,26-30,32-36H,4-5H2/t8-,13+,18+,20+,22-,26-/m0/s1

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InChIKey

VNWHUIOZAYGUGY-KYAUEXFYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105289988)

[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] (1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate

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