Exact Mass: 754.2020092

Exact Mass Matches: 754.2020092

Found 47 metabolites which its exact mass value is equals to given mass value 754.2020092, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Kaempferol 3-[6'-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside

3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}oxan-2-yl)methoxy]pentanoic acid

C33H38O20 (754.1956348)


Kaempferol 3-[6-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside is found in citrus. Kaempferol 3-[6-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside is a constituent of 10 year old callus cultures of lime (Citrus aurantifolia). Constituent of 10 year old callus cultures of lime (Citrus aurantifolia). Kaempferol 3-[6-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside is found in lime and citrus.

   

Spinosin C

[6-({4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid

C37H38O17 (754.2108898)


Spinosin C is found in fruits. Spinosin C is isolated from Zizyphus jujuba (Chinese date). Isolated from Zizyphus jujuba (Chinese date). Spinosin C is found in fruits.

   

Luteolin 7-glucuronide-3,4-dirhamnoside

5,7,3,4-Tetrahydroxyflavone 7-glucuronide-3,4-dirhamnoside

C33H38O20 (754.1956348)


   

2)-galactoside]

3- [ [ 2-O-D-Apio-beta-D-furanosyl-6-O- (4-carboxy-3-hydroxy-3-methyl-1-oxobutyl) -beta-D-galactopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

C33H38O20 (754.1956348)


   

Syringetin 3-(4,6-diacetylglucosyl)(1->3)-galactoside

Syringetin 3-(4,6-diacetylglucosyl)(1->3)-galactoside

C33H38O20 (754.1956348)


   

apigenin 7-O-beta-D-glucuronopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside

apigenin 7-O-beta-D-glucuronopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside

C33H38O20 (754.1956348)


   

quercetin-3-O-alpha-rhamnosyl-(1->2)-[(6-O-3-hydroxy-3-methylglutaryl)-beta-galactoside]

quercetin-3-O-alpha-rhamnosyl-(1->2)-[(6-O-3-hydroxy-3-methylglutaryl)-beta-galactoside]

C33H38O20 (754.1956348)


   

6-(3-hydroxy-3-methylglutaroyl)-2-O-beta-D-galactopyranosyl orientin

6-(3-hydroxy-3-methylglutaroyl)-2-O-beta-D-galactopyranosyl orientin

C33H38O20 (754.1956348)


   

Quercetin 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside]

Quercetin 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside]

C33H38O20 (754.1956348)


   

6-feruloylsaponarin

6-feruloylsaponarin

C37H38O17 (754.2108898)


   

apigenin 6-C-alpha-L-rhamnopyranoside-8-C-<6-(3-hydroxy-3-methylglutaroyl)-beta-D-glucopyranoside>

apigenin 6-C-alpha-L-rhamnopyranoside-8-C-<6-(3-hydroxy-3-methylglutaroyl)-beta-D-glucopyranoside>

C33H38O20 (754.1956348)


   

tricetin 7-O-beta-D-glucopyranoside-3-O-beta-D-(6-3-hydroxy-3-methylglutaryl)glucopyranoside

tricetin 7-O-beta-D-glucopyranoside-3-O-beta-D-(6-3-hydroxy-3-methylglutaryl)glucopyranoside

C33H38O20 (754.1956348)


   

Flavonol base + 3O, O-Hex, O-Hex+C6H9O4

Flavonol base + 3O, O-Hex, O-Hex+C6H9O4

C33H38O20 (754.1956348)


Annotation level-3

   

Spinosin 6-(E)-p-coumarate

Swertisin 6-O-p-coumaroyl 2-O-glucoside

C37H38O17 (754.2108898)


   

Kaempferol 3-[6-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside

Kaempferol 3-[6-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside

C33H38O20 (754.1956348)


   

Rhamnetin 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside]

Quercetin 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside]

C33H38O20 (754.1956348)


   

Spinosin C

[6-({4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

C37H38O17 (754.2108898)


   
   
   

alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S

alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S

C25H42N2O22S (754.1949832)


   

Gal6S(b1-3)[NeuAc(a2-6)]a-GalNAc

Gal6S(b1-3)[NeuAc(a2-6)]a-GalNAc

C25H42N2O22S (754.1949832)


   
   

alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-GlcpNAc6S

alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-GlcpNAc6S

C25H42N2O22S (754.1949832)


   

alpha-NeupNAc-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S

alpha-NeupNAc-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S

C25H42N2O22S (754.1949832)


   

alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-alpha-D-GalpNAc6S

alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-alpha-D-GalpNAc6S

C25H42N2O22S (754.1949832)


   

alpha-Neup5Ac-(2->3)-beta-D-Galp6S-(1->4)-beta-D-GlcpNAc

alpha-Neup5Ac-(2->3)-beta-D-Galp6S-(1->4)-beta-D-GlcpNAc

C25H42N2O22S (754.1949832)


   

Gal6S(b1-3)[NeuAc(a2-6)]GalNAc

Gal6S(b1-3)[NeuAc(a2-6)]GalNAc

C25H42N2O22S (754.1949832)


   

Gal4S(b1-3)[NeuAc(a2-6)]GalNAc

Gal4S(b1-3)[NeuAc(a2-6)]GalNAc

C25H42N2O22S (754.1949832)


   

NeuAc(a2-3)Gal(b1-3)GalNAc6S

NeuAc(a2-3)Gal(b1-3)GalNAc6S

C25H42N2O22S (754.1949832)


   

NeuAc(a2-3)Gal(b1-3)b-GalNAc6S

NeuAc(a2-3)Gal(b1-3)b-GalNAc6S

C25H42N2O22S (754.1949832)


   

2-(3,4-dihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

2-(3,4-dihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C37H38O17 (754.2108898)


   

Gal6S(b1-3)[NeuAc(a2-6)]b-GalNAc

Gal6S(b1-3)[NeuAc(a2-6)]b-GalNAc

C25H42N2O22S (754.1949832)


   

Gal4S(b1-3)[NeuAc(a2-6)]a-GalNAc

Gal4S(b1-3)[NeuAc(a2-6)]a-GalNAc

C25H42N2O22S (754.1949832)


   

Gal4S(b1-3)[NeuAc(a2-6)]b-GalNAc

Gal4S(b1-3)[NeuAc(a2-6)]b-GalNAc

C25H42N2O22S (754.1949832)


   

(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C25H42N2O22S (754.1949832)


   

(2s,3s,4s,5r,6r)-6-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C33H38O20 (754.1956348)


   

3-hydroxy-3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[2-hydroxy-5-(5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]oxan-2-yl}methoxy)pentanoic acid

3-hydroxy-3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[2-hydroxy-5-(5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]oxan-2-yl}methoxy)pentanoic acid

C33H38O20 (754.1956348)


   

6'-p-coumaroylspinosin

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; AC1NSTWM

C37H38O17 (754.2108898)


{"Ingredient_id": "HBIN012751","Ingredient_name": "6'-p-coumaroylspinosin","Alias": "[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; AC1NSTWM","Ingredient_formula": "C37H38O17","Ingredient_Smile": "NA","Ingredient_weight": "768.78","OB_score": "5.725955915","CAS_id": "NA","SymMap_id": "SMIT01138","TCMID_id": "NA","TCMSP_id": "MOL001547","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C33H38O20 (754.1956348)


   

(3s)-5-{[(2r,3r,4s,5r,6s)-5-{[(2s,3s,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

(3s)-5-{[(2r,3r,4s,5r,6s)-5-{[(2s,3s,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

C33H38O20 (754.1956348)


   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C37H38O17 (754.2108898)


   

5-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

5-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

C33H38O20 (754.1956348)


   

(3r)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-5-(5-hydroxy-4-oxo-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]oxan-2-yl]methoxy}pentanoic acid

(3r)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-5-(5-hydroxy-4-oxo-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]oxan-2-yl]methoxy}pentanoic acid

C33H38O20 (754.1956348)


   

[6-({4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

[6-({4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

C37H38O17 (754.2108898)


   

(3s)-5-{[(2r,3r,4s,5r,6s)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

(3s)-5-{[(2r,3r,4s,5r,6s)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

C33H38O20 (754.1956348)


   

5-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

5-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

C33H38O20 (754.1956348)


   

(3s)-5-{[(2r,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

(3s)-5-{[(2r,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

C33H38O20 (754.1956348)