(Q105152465)

English

[(3S,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[4,5-Diacetyloxy-6-[[6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

722.169428868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₄O₁₉

0 references

canonical SMILES

O=C(OC1COC(OCC2OC(OC=3C=C(O)C=C4OC(=C(O)C(=O)C43)C=5C=CC(O)=C(O)C5)C(O)C(O)C2O)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)cc4oc(-c5ccc(O)c(O)c5)c(O)c(=O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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found in taxon

Calluna vulgaris

1 reference

stated in

Quercetin 3-[triacetylarabinosyl(1-->6)galactoside] and chromones from Calluna vulgaris.

Identifiers

InChI

InChI=1S/C32H34O19/c1-11(33)46-21-10-45-32(30(48-13(3)35)29(21)47-12(2)34)44-9-20-23(39)25(41)27(43)31(51-20)50-19-8-15(36)7-18-22(19)24(40)26(42)28(49-18)14-4-5-16(37)17(38)6-14/h4-8,20-21,23,25,27,29-32,36-39,41-43H,9-10H2,1-3H3/t20-,21+,23-,25+,27-,29+,30-,31-,32-/m1/s1

0 references

InChIKey

LJAFQUOAMBUHRC-XHHKXXMRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LJAFQUOAMBUHRC-XHHKXXMRSA-N

(Q105152465)

[(3S,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-3-yl] acetate

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