(Q104398844)

English

(2S,3S,4S,5R,6S)-Methyl 3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl (2S,3R,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

Apigenin 7-O-methylglucuronide

1 reference

based on heuristic

inferred from SMILES

mass

460.10056146 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₀O₁₁

0 references

canonical SMILES

O=C(OC)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O

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isomeric SMILES

COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Strobilanthes

1 reference

stated in

Phenolic glycosides from nuo-mi-xang-cao, a Chinese acanthaceous herb.

Chaenomeles sinensis

1 reference

stated in

Tissue factor inhibitory flavonoids from the fruits of Chaenomeles sinensis

Physocarpus capitatus

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stated in

Actin-aggregating cucurbitacins from Physocarpus capitatus

Centaurea furfuracea

1 reference

stated in

Flavonoids from Centaurea furfuracea (Asteraceae)

Aster indicus

1 reference

stated in

Phenolic derivatives from Aster indicus

Bellis perennis

1 reference

stated in

Medicinal flowers. XXI. Structures of perennisaponins A, B, C, D, E, and F, acylated oleanane-type triterpene oligoglycosides, from the flowers of Bellis perennis

Broussonetia papyrifera

1 reference

stated in

Antityrosinase and antioxidant effects of ent-kaurane diterpenes from leaves of Broussonetia papyrifera

Centaurea sicula

1 reference

stated in

A new flavonoid and other constituents from Centaurea nicaeensis All. var. walliana M.

Centaurea urvillei

1 reference

stated in

Phenolic Glycosides with antiproteasomal activity from Centaurea urvillei DC. subsp. urvillei

Garcinia purpurea

1 reference

stated in

Antibacterial activity of some Garcinia benzophenone derivatives against methicillin-resistant Staphylococcus aureus

Helichrysum arenarium

1 reference

stated in

Medicinal flowers. XXVII. New flavanone and chalcone glycosides, arenariumosides I, II, III, and IV, and tumor necrosis factor-alpha inhibitors from everlasting, flowers of Helichrysum arenarium

Hyssopus officinalis

1 reference

stated in

Two new flavonoid glycosides from the whole herbs of Hyssopus officinalis

Meehania fargesii

1 reference

stated in

Cyclic spermidine alkaloids and flavone glycosides from Meehania fargesii

Ocimum tenuiflorum

1 reference

stated in

Constituents of Ocimum sanctum with antistress activity

Pulicaria wightiana

1 reference

stated in

Phenolic derivatives from Aster indicus

Garcinia indica

1 reference

stated in

Antibacterial activity of some Garcinia benzophenone derivatives against methicillin-resistant Staphylococcus aureus

Centaurea raphanina

1 reference

stated in

Phenolic Glycosides with antiproteasomal activity from Centaurea urvillei DC. subsp. urvillei

Identifiers

InChI

InChI=1S/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)31-11-6-12(24)16-13(25)8-14(32-15(16)7-11)9-2-4-10(23)5-3-9/h2-8,17-20,22-24,26-28H,1H3/t17-,18-,19+,20-,22+/m0/s1

0 references

InChIKey

XXKIWCKZQFBXIR-SXFAUFNYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXKIWCKZQFBXIR-SXFAUFNYSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

XXKIWCKZQFBXIR-SXFAUFNYSA-N

(Q104398844)

(2S,3S,4S,5R,6S)-Methyl 3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylate

Statements

Identifiers

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