(Q105170498)

English

(2S)-2-[4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-methoxyphenyl]-5-hydroxy-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-2,3-dihydrochromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-methoxyphenyl]-5-hydroxy-7-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

594.194855768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₄O₁₄

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canonical SMILES

O=C1C2=C(O)C=C(OC3CC(CO)C(O)C(O)C3O)C=C2OC(C4=CC=C(OC5OCC(O)(CO)C5O)C(OC)=C4)C1

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isomeric SMILES

COc1cc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)ccc1O[C@@H]1OC[C@](O)(CO)[C@H]1O

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found in taxon

Viscum coloratum

1 reference

stated in

Inhibitory activity of the ethyl acetate fraction from Viscum coloratum on bone resorption

Identifiers

InChI

InChI=1S/C28H34O14/c1-38-19-4-12(2-3-17(19)42-27-26(36)28(37,10-30)11-39-27)18-8-16(32)22-15(31)6-14(7-20(22)41-18)40-21-5-13(9-29)23(33)25(35)24(21)34/h2-4,6-7,13,18,21,23-27,29-31,33-37H,5,8-11H2,1H3/t13-,18+,21-,23-,24+,25+,26+,27+,28-/m1/s1

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InChIKey

MRDLWNHNBKSFOI-ZUWOHXSMSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105170498)

(2S)-2-[4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-methoxyphenyl]-5-hydroxy-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-2,3-dihydrochromen-4-one

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