Exact Mass: 622.1979
Exact Mass Matches: 622.1979
Found 259 metabolites which its exact mass value is equals to given mass value 622.1979
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pectolinarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.997 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.998 Pectolinarin possesses anti-inflammatory activity[1]. Pectolinarin inhibits secretion of IL-6 and IL-8, as well as the production of PGE2 and NO. Pectolinarin suppresses cell proliferation and inflammatory response and induces apoptosis via inactivation of the PI3K/Akt pathway[2]. Pectolinarin possesses anti-inflammatory activity[1]. Pectolinarin inhibits secretion of IL-6 and IL-8, as well as the production of PGE2 and NO. Pectolinarin suppresses cell proliferation and inflammatory response and induces apoptosis via inactivation of the PI3K/Akt pathway[2].
Pectolinarin
Pectolinarin is a disaccharide derivative that consists of pectolinarigenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an apoptosis inducer, an anti-inflammatory agent, a plant metabolite, an antineoplastic agent, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an antioxidant. It is a dimethoxyflavone, a rutinoside, a glycosyloxyflavone, a disaccharide derivative and a monohydroxyflavanone. It is functionally related to a pectolinarigenin. Pectolinarin is a natural product found in Kickxia elatine, Scoparia dulcis, and other organisms with data available. See also: Trifolium pratense flower (part of). A disaccharide derivative that consists of pectolinarigenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.003 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.997 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.998 Pectolinarin possesses anti-inflammatory activity[1]. Pectolinarin inhibits secretion of IL-6 and IL-8, as well as the production of PGE2 and NO. Pectolinarin suppresses cell proliferation and inflammatory response and induces apoptosis via inactivation of the PI3K/Akt pathway[2]. Pectolinarin possesses anti-inflammatory activity[1]. Pectolinarin inhibits secretion of IL-6 and IL-8, as well as the production of PGE2 and NO. Pectolinarin suppresses cell proliferation and inflammatory response and induces apoptosis via inactivation of the PI3K/Akt pathway[2].
6-Hydroxyluteolin 3-methyl ether 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]
Kaempferol 7,4-dimethyl ether 3-(6-(E)-p-coumarylglucoside)
Luteolin 3-methyl ether 7-glucuronide-4-rhamnoside
Naringenin 7-[3-acetyl-6-p-coumaroylglucoside]
4,2,3,4-Tetrahydroxychalcone 4-O-(2-O-p-coumaroyl-6-O-acetyl)glucoside
Dicliripariside C
6)-glucoside
Lethedioside A
Scutellarein 6,7-dimethyl ether 4-rutinoside
6,7-Dihydroxy-3-methoxy-4,5-methylenedioxyisoflavone 6-O-(6-xylosylglucoside)
6)-glucoside
Kaempferol 7,4-dimethyl ether 3-neohesperidoside
Naringenin 7- [ 3-acetyl-6-p-coumaroylglucoside ]
[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-7,8-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
cissoside III|quercetin 3-O-alpha-L-(5-O-acetyl)-arabinofuranosyl-7-O-alpha-L-rhamnopyranoside
3-O-beta-D-Glucopyranoside,7-O-alpha-L-rhamnopyranoside-3,5,7-Trihydroxy-4-methoxylflavone
kaempferol-3,7-di-O-methyl-4-O-beta-[alpha-rhamnosyl(1->6)]glucopyranoside|siparunoside
6,8-Di-Me ether,3-O-rutinoside-1,3,6,8-Tetrahydroxy-2-methylanthraquinone
N(4)-(2-(2,3-Dihydroxyphenyl)-5-methyl-2-oxazolin-4-yl)carboxy-N(1),N(7)-bis(2,3-dihydroxybenzoyl)norspermidine
Scutellarein 7,4-dimethyl ether 6-rhamnosyl-(1->2)-glucoside
(2R,4S)-5,7-O-beta-D-diglucopyranosyloxy-4-methoxy-6,8-dimethyl-4,2-oxidoflavane
Kaempferol 3-[2-acetyl-alpha-L-arabinopyranosyl-(1->6)-galactoside]
7,5,4-Trimethoxyflavone 7-xylosyl-(1->6)-glucoside
5,7-Dihydroxy-6,4-dimethoxyflavon-7-O-rhamnoglucosid
rhamnetin 3-O-[(S)-3-hydroxy-3-methylglutaroyl(1->6)]-beta-D-glucopyranoside|rhamnetin 3-O-[(S)-3-hydroxy-3-methylglutaroyl(1?6)]-beta-glucopyranoside
3,3-Biapigeninyl-hexamethylether|5,7,5,7-tetramethoxy-2-(4-methoxy-phenyl)-2,3-(4-methoxy-m-phenylene)-bis-chromen-4-one|hexa-O-methyl-taiwaniaflavone|hexa-O-methyltaiwaniaflavone
cladrastin-7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|millesianin F
1,2-[beta-(3,4-dihydroxylphenyl)-alpha,beta-dioxoethanol]-3-O-caffeoyl-O-alpha-rhamnopyranosyl-(1->6)-O-beta-glucopyranoside|lianqiaoxinoside B
hispidulin 7-O-alpha-L-rhamnopyranosyl-(1?2)-O-beta-D-glucuronopyranoside
3-methoxyquercetin-4-O-alpha-L-rhamnopyranosyl (1-4) beta-D-glucopyranoside
(R)-6-hydroxymellein 6-O-beta-D-[5-O-(4-methoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside
((aR,5S,6S,7S,8R)-5,6,7,8-tetrahydro-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyl-8-[((Z)-2-methylbut-2-enoyl)oxy]dibenzo[a,c]cycloocten-5-yl) benzenecarboxylate|renchangianin B
kaempferol 3-O-beta-(2-acetyl)galactopyranoside-7-O-alpha-arabinopyranoside
(1R*,3aS*,4E,6Z,8S*,8aR*,9S*,11R*,12R*,12aS*,13S*,13aS*)-5-[(acetoxy)methyl]-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-1,8a-dimethyl-2-oxo-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2-oxirane]-8,9,11,13-tetrayl tetraacetate|frajunolide D|rel-(1R,2S,7S,8S,9S,10S,11R,12R,14S,17R)-2,9,12,14,16-pentaacetoxy-11,20-epoxy-8-hydroxybriara-3,5-dien-18,7-olide
2-(4-Methoxyphenyl)-5,7-dimethoxy-6-[2-methoxy-5-(4-oxo-5,7-dimethoxy-4H-1-benzopyran-2-yl)phenyl]-4H-1-benzopyran-4-one
5,7,5,7-tetramethoxy-2,2-bis-(4-methoxy-phenyl)-[6,8]bichromenyl-4,4-dione|Agathisflavon-hexamethylether|agathisflavone|Hexa-Me ether-Agathisflavone|Hexa-O-methyl-agathisflavon|Hexa-O-methylagathisflavon
irilone 4-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside]|irilone-4-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside]
3-deoxy-5-O-(3-O-L-glycero-alpha-D-manno-heptopyranosyl-L-glycero-alpha-D-manno-heptopyranosyl)-D-manno-2-octulopyranosonic acid
Kaempferol 3-(3-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
Cyanidin 3-O-(2-O-beta-xylopyranosyl-6-O-acetyl)-beta-glucopyranoside
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one
[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
Biflavonoid-flavone base + 3MeO and flavone base + 3MeO
Annotation level-3
[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]
[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848738]
Cys Glu Trp Trp
Cys Trp Glu Trp
Cys Trp Trp Glu
Asp Tyr Tyr Tyr
Glu Cys Trp Trp
Glu Trp Cys Trp
Glu Trp Trp Cys
Phe Met Tyr Tyr
Phe Tyr Met Tyr
Phe Tyr Tyr Met
Met Phe Tyr Tyr
Met Tyr Phe Tyr
Met Tyr Tyr Phe
Trp Cys Glu Trp
Trp Cys Trp Glu
Trp Glu Cys Trp
Trp Glu Trp Cys
Trp Trp Cys Glu
Trp Trp Glu Cys
Tyr Asp Tyr Tyr
Tyr Phe Met Tyr
Tyr Phe Tyr Met
Tyr Met Phe Tyr
Tyr Met Tyr Phe
Tyr Tyr Asp Tyr
Tyr Tyr Phe Met
Tyr Tyr Met Phe
Tyr Tyr Tyr Asp
7,8-Dimethoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl 2-O-pentopyranosylhexopyranoside
1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-?-D-glucopyranoside
(3R,4S,5R,6R)-2-(dichloromethyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]imidazo[1,2-a]pyridine
2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt
3-[(21S,22S)-12-(dihydroxymethyl)-11,16-bis(ethenyl)-4-hydroxy-3-methoxycarbonyl-17,21,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
alpha-D-glucosyl-(1->3)-alpha-D-glucosyl-(1->3)-alpha-L-rhamnosyl-(1->3)-D-ribitol
irilone-4-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside]
A glycosyloxyisoflavone that is irilone attached to a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl moiety at position 4 via a glycosidic linkage. Isolated from Iris pseudopumila, it exhibits antioxidant activity.
alpha-D-galactopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->3)-D-ribitol
alpha-D-Galp-(1->3)-alpha-D-Glcp-(1->3)-alpha-L-Rhap-(1->4)-D-ribitol
L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one
[(2s,4ar,6r,7r,8s,8ar)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-(3,4-dimethoxyphenyl)-5-methoxy-7-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
methyl 4-hydroxy-3-[4-({11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4(9),10,14,16(21)-hexaen-5-yl}methyl)phenoxy]benzoate
7-hydroxy-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
methyl 4-hydroxy-3-(4-{[(5s)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4(9),10,14,16(21)-hexaen-5-yl]methyl}phenoxy)benzoate
6-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
2-(3,4-dimethoxyphenyl)-5-methoxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one
2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-7-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
4,5-dihydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl 4-hydroxybenzoate
(8r,9s,10s,11s)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2e)-3-phenylprop-2-enoate
6-{[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
3-{[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
8-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
(2r,3r,4s,5s,6s)-4,5-dihydroxy-6-[(6-hydroxy-7-methoxy-4-oxo-2-phenylchromen-5-yl)oxy]-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
(2r,3r,4r,5r,6s)-2-{[(1s,4ar,5s,7as)-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-5-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl (2e)-3-phenylprop-2-enoate
(1r,2s,10r,12r,13s)-12-cyano-16-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-10-[(2-oxopropanamido)methyl]-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),16,18-pentaen-19-yl 2-hydroxyacetate
3,4',5,7-tetrahydroxyflavone; 3-o-[2-o-acetyl-alpha-l-arabinopyranosyl-(1→6)-beta-d-galactopyranoside]
{"Ingredient_id": "HBIN007274","Ingredient_name": "3,4',5,7-tetrahydroxyflavone; 3-o-[2-o-acetyl-alpha-l-arabinopyranosyl-(1\u21926)-beta-d-galactopyranoside]","Alias": "NA","Ingredient_formula": "C28H30O16","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8315","PubChem_id": "NA","DrugBank_id": "NA"}
4'-deoxykanokoside c
{"Ingredient_id": "HBIN010324","Ingredient_name": "4'-deoxykanokoside c","Alias": "NA","Ingredient_formula": "C27H42O16","Ingredient_Smile": "CC(C)CC(=O)OC1C2C(C3C(C2(CO)O)O3)C(=CO1)COC4C(C(CC(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O","Ingredient_weight": "622.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5185","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101219289","DrugBank_id": "NA"}