(Q105287195)

English

[(2S,3R,4R,5S,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

chemical compound

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Statements

type of chemical entity

0 references

[(2R,3S,4R,5S,6S)-6-[(3S,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

828.232423048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄O₂₂

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1C)OC2C(O)C(O)C(OC2OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=C(OC)C5)COC6OC(CO)C(O)C(O)C6O)C

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isomeric SMILES

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]2O)ccc1O

0 references

1 reference

Acetylated flavonol triglycosides from Ammi majus L

Identifiers

InChI=1S/C36H44O22/c1-11-30(53-12(2)38)27(47)29(49)35(52-11)58-33-26(46)23(43)20(10-51-34-28(48)25(45)22(42)19(9-37)55-34)56-36(33)57-32-24(44)21-16(41)7-14(39)8-18(21)54-31(32)13-4-5-15(40)17(6-13)50-3/h4-8,11,19-20,22-23,25-30,33-37,39-43,45-49H,9-10H2,1-3H3/t11-,19+,20+,22+,23+,25-,26-,27+,28+,29-,30-,33+,34+,35-,36-/m0/s1

0 references

VJEVXTUVNQQJJL-BMBQPZFGSA-N

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2 references

15 September 2022

matched by identifier from

VJEVXTUVNQQJJL-BMBQPZFGSA-N

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