(Q105194451)

English

(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

chemical compound

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type of chemical entity

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subclass of

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from SMILES

(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

596.174120324 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₁₅

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canonical SMILES

O=C1C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2OC(C5=CC=C(O)C(O)=C5)C1

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isomeric SMILES

C[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@@H](c3ccc(O)c(O)c3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O

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found in taxon

Citrus

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stated in

Flavonoids in Citrus Hybrids

stated in

Flavonoids in citrus and related genera. VII. Flavonoids in citrus hybrids.

Citrus sudachi

1 reference

stated in

Chemical constituents from the peels of Citrus sudachi

Foeniculum vulgare

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stated in

Bioguided isolation and identification of the nonvolatile antioxidant compounds from fennel (Foeniculum vulgare Mill.) waste

stated in

Separation and characterization of phenolic compounds in fennel (Foeniculum vulgare) using liquid chromatography-negative electrospray ionization tandem mass spectrometry.

Citrus × paradisi

1 reference

stated in

Use of an online extraction liquid chromatography quadrupole time-of-flight tandem mass spectrometry method for the characterization of polyphenols in Citrus paradisi cv. Changshanhuyu peel.

mandarin orange

1 reference

stated in

Antioxidant Capacity, Anticancer Ability and Flavonoids Composition of 35 Citrus (Citrus reticulata Blanco) Varieties.

Citrus medica

1 reference

stated in

Chemical constituents from the peels of Citrus sudachi

Citrus × deliciosa

1 reference

stated in

Antioxidant Capacity, Anticancer Ability and Flavonoids Composition of 35 Citrus (Citrus reticulata Blanco) Varieties.

Kumquat

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stated in

Chemical constituents from the peels of Citrus sudachi

Citrus japonica

1 reference

stated in

Chemical constituents from the peels of Citrus sudachi

Identifiers

InChI

InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1

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InChIKey

OMQADRGFMLGFJF-PCSPYYSVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105194451)

(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

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