(Q104946463)

English

3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

3-[4,5-dihydroxy-6-methyl-3-[(2R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

646.226155896 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

1 reference

based on heuristic

inferred from InChI

3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)chromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₈O₁₄

0 references

canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2OC3OCC(O)C(O)C3O)=C(OC=4C1=C(O)C=C(O)C4CC=C(C)C)C=5C=CC(OC)=CC5

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isomeric SMILES

COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1

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found in taxon

Epimedium sagittatum

1 reference

stated in

Flavonol glycosides from Epimedium sagittatum

Identifiers

InChI

InChI=1S/C32H38O14/c1-13(2)5-10-17-18(33)11-19(34)21-24(38)29(27(44-28(17)21)15-6-8-16(41-4)9-7-15)45-32-30(25(39)22(36)14(3)43-32)46-31-26(40)23(37)20(35)12-42-31/h5-9,11,14,20,22-23,25-26,30-37,39-40H,10,12H2,1-4H3/t14-,20+,22-,23-,25+,26+,30+,31-,32+/m0/s1

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InChIKey

BVDGQVAUJNUPGW-QOTDCGQOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVDGQVAUJNUPGW-QOTDCGQOSA-N

(Q104946463)

3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

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