(Q105115603)

English

[(3R,4S,5S)-3,4-dihydroxy-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(5-methyl-2-oxochromen-4-yl)oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4-Dihydroxy-5-[[3,4,5-trihydroxy-6-(5-methyl-2-oxochromen-4-yl)oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

590.16355564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₀O₁₄

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canonical SMILES

O=C1OC2=CC=CC(=C2C(OC3OC(COC4OCC(O)(COC(=O)C5=CC=C(O)C=C5)C4O)C(O)C(O)C3O)=C1)C

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isomeric SMILES

Cc1cccc2oc(=O)cc(O[C@H]3O[C@@H](CO[C@H]4OC[C@@](O)(COC(=O)c5ccc(O)cc5)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)c12

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found in taxon

Diospyros crassiflora

1 reference

stated in

New coumarin glycosides from the leaves of Diospyros crassiflora (Hiern).

Diospyros mcphersonii

1 reference

stated in

New coumarin glycosides from the leaves of Diospyros crassiflora (Hiern).

Identifiers

InChI

InChI=1S/C28H30O14/c1-13-3-2-4-16-20(13)17(9-19(30)40-16)41-26-23(33)22(32)21(31)18(42-26)10-37-27-24(34)28(36,12-39-27)11-38-25(35)14-5-7-15(29)8-6-14/h2-9,18,21-24,26-27,29,31-34,36H,10-12H2,1H3/t18-,21-,22+,23-,24+,26-,27-,28-/m0/s1

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InChIKey

IMDKSWGBPODZLH-JZEZQKSTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IMDKSWGBPODZLH-JZEZQKSTSA-N

(Q105115603)

[(3R,4S,5S)-3,4-dihydroxy-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(5-methyl-2-oxochromen-4-yl)oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate

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Identifiers

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