(Q105181241)

English

(2S)-7-[(2S,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

chemical compound

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type of chemical entity

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subclass of

7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from SMILES

(2S)-7-{[(2S,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one

1 reference

based on heuristic

inferred from SMILES

7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one

1 reference

based on heuristic

inferred from SMILES

mass

594.194855768 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₄O₁₄

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canonical SMILES

O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)C=C2OC(C5=CC=C(OC)C=C5)C1

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isomeric SMILES

COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@H](O)[C@H]4O)cc3O2)cc1

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found in taxon

Citrus sudachi

1 reference

stated in

Chemical constituents from the peels of Citrus sudachi

mandarin orange

2 references

stated in

Discrimination of Citrus reticulata Blanco and Citrus reticulata 'Chachi' as well as the Citrus reticulata 'Chachi' within different storage years using ultra high performance liquid chromatography quadrupole/time-of-flight mass spectrometry based m

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

2 references

stated in

Discrimination of Citrus reticulata Blanco and Citrus reticulata 'Chachi' as well as the Citrus reticulata 'Chachi' within different storage years using ultra high performance liquid chromatography quadrupole/time-of-flight mass spectrometry based m

stated in

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

Kumquat

1 reference

stated in

Chemical constituents from the peels of Citrus sudachi

Trifoliate orange

1 reference

stated in

A new flavanone glycoside from the dried immature fruits of Poncirus trifoliata.

Citrus japonica

1 reference

stated in

Chemical constituents from the peels of Citrus sudachi

Identifiers

InChI

InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19-,21-,22+,23-,24-,25+,26-,27-,28+/m0/s1

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InChIKey

NLAWPKPYBMEWIR-VGQRFNKBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105181241)

(2S)-7-[(2S,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

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