(Q104984077)

English

[2-[(2S,3R,4S,5S,6R)-3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyphenyl]methyl (1R,2R,6R)-1,2,6-trihydroxy-5-oxocyclohex-3-ene-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

576.147905576 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₈O₁₄

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canonical SMILES

O=C(OC1C(OC2=CC=C(O)C=C2COC(=O)C3(O)C(O)C=CC(=O)C3O)OC(CO)C(O)C1O)C=4C=CC=CC4

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isomeric SMILES

O=C(O[C@H]1[C@H](Oc2ccc(O)cc2COC(=O)[C@@]2(O)[C@H](O)C=CC(=O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1

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found in taxon

Flacourtia indica

1 reference

stated in

Isolation and identification of β-hematin inhibitors from Flacourtia indica as promising antiplasmodial agents

Identifiers

InChI

InChI=1S/C27H28O14/c28-11-18-20(32)21(33)22(41-24(35)13-4-2-1-3-5-13)25(40-18)39-17-8-6-15(29)10-14(17)12-38-26(36)27(37)19(31)9-7-16(30)23(27)34/h1-10,18-23,25,28-29,31-34,37H,11-12H2/t18-,19-,20-,21+,22-,23+,25-,27-/m1/s1

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InChIKey

DLBOMVFEFWKKHS-MUZBHQQFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DLBOMVFEFWKKHS-MUZBHQQFSA-N

1 reference

(Q104984077)

[2-[(2S,3R,4S,5S,6R)-3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyphenyl]methyl (1R,2R,6R)-1,2,6-trihydroxy-5-oxocyclohex-3-ene-1-carboxylate

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Identifiers

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