(Q63399321)

inferred from SMILES

mass

594.194855768 dalton

1 reference

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

inferred from SMILES

stereoisomer of

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₈H₃₄O₁₄

0 references

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(OC)C=C5)C1

0 references

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O

0 references

found in taxon

Citrus unshiu

2 references

High-performance liquid chromatographic determination of naturally occurring flavonoids in Citrus with a photodiode-array detector

Chemical composition of the juice of the fruit ofCitrus unshiu

Citrus grandis

2 references

High-performance liquid chromatographic determination of naturally occurring flavonoids in Citrus with a photodiode-array detector

Limonoids and Flavonoids in Juices of Oroblanco and Melogold Grapefruit Hybrids

Citrus wilsonii

1 reference

Limonoid and flavonoid composition in varieties of Papeda and Papedocitrus

Citrus latipes

1 reference

Limonoid and flavonoid composition in varieties of Papeda and Papedocitrus

Citrus hystrix

1 reference

Limonoid and flavonoid composition in varieties of Papeda and Papedocitrus

Clinopodium chinense

1 reference

Triterpenoid saponins from Clinopodium chinensis

Citrus webberi

1 reference

Limonoid and flavonoid composition in varieties of Papeda and Papedocitrus

Clinopodium laxiflorum

1 reference

Constituents of the Whole Herb ofClinoponium laxiflorum

Citrus

1 reference

Didymin, a dietary flavonoid glycoside from citrus fruits, induces Fas-mediated apoptotic pathway in human non-small-cell lung cancer cells in vitro and in vivo

Cyclotrichium niveum

1 reference

Flavanones from Cyclotrichium niveum

Citrus × paradisi

3 references

Variance of common flavonoids by brand of grapefruit juice

Limonoids and Flavonoids in Juices of Oroblanco and Melogold Grapefruit Hybrids

Simultaneous separation of flavanone glycosides and polymethoxylated flavones in citrus juices using liquid chromatography

pomelo

2 references

Limonoids and Flavonoids in Juices of Oroblanco and Melogold Grapefruit Hybrids

High-performance liquid chromatographic determination of naturally occurring flavonoids in Citrus with a photodiode-array detector

mandarin orange

2 references

High-performance liquid chromatographic determination of naturally occurring flavonoids in Citrus with a photodiode-array detector

Chemical composition of the juice of the fruit ofCitrus unshiu

Citrus × deliciosa

2 references

High-performance liquid chromatographic determination of naturally occurring flavonoids in Citrus with a photodiode-array detector

Chemical composition of the juice of the fruit ofCitrus unshiu

Citrus cavaleriei

1 reference

Limonoid and flavonoid composition in varieties of Papeda and Papedocitrus

Identifiers

InChI

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

0 references

0 references

CAS Registry Number

14259-47-3

1 reference

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

16760075

1 reference

ChEBI ID

176179

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

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

SureChEMBL ID

SCHEMBL497764

2 references

inferred from InChIKey

MSBNK-Univ_Toyama-TY000152

1 reference

MassBank accession ID

0 references

DSSTox substance ID

DTXSID90931536

1 reference

UNII

02Q5OS3TU3

1 reference

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

0 references

1 reference

retrieved

15 January 2022