(Q105134898)

English

3-[[(2S,3R,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

680.158864184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Kaempferol 3-O-(2''-O-alpha-rhamnosyl-6''-O-malonyl-beta-glucoside)

1 reference

based on heuristic

inferred from InChI

3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₂O₁₈

0 references

canonical SMILES

O=C(O)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(OC5OC(C)C(O)C(O)C5O)C(O)C1O

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isomeric SMILES

C[C@@H]1O[C@H](O[C@@H]2[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Clitoria ternatea

1 reference

stated in

Malonylated flavonol glycosides from the petals of Clitoria ternatea.

Identifiers

InChI

InChI=1S/C30H32O18/c1-10-20(37)23(40)25(42)29(44-10)48-28-24(41)21(38)16(9-43-18(36)8-17(34)35)46-30(28)47-27-22(39)19-14(33)6-13(32)7-15(19)45-26(27)11-2-4-12(31)5-3-11/h2-7,10,16,20-21,23-25,28-33,37-38,40-42H,8-9H2,1H3,(H,34,35)/t10-,16-,20-,21-,23+,24+,25-,28-,29+,30+/m0/s1

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InChIKey

JTOOPMHFLOLUPJ-GFBSZHGGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTOOPMHFLOLUPJ-GFBSZHGGSA-N

(Q105134898)

3-[[(2S,3R,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

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Identifiers

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