Exact Mass: 678.1549

Exact Mass Matches: 678.1549

Found 109 metabolites which its exact mass value is equals to given mass value 678.1549, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

auranofin

auranofin

C20H34AuO9PS (678.1327)


M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01C - Specific antirheumatic agents > M01CB - Gold preparations D018501 - Antirheumatic Agents Same as: D00237

   

Sucrose octaacetate

[3,4-Bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetic acid

C28H38O19 (678.2007)


Sucrose octaacetate is a flavouring ingredient, alcohol denaturan Flavouring ingredient, alcohol denaturant

   

alpha-Viniferin

3,11,19-Tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


Constituent of Vitis vinifera (wine grape). alpha-Viniferin is found in alcoholic beverages, fruits, and common grape. alpha-Viniferin is found in alcoholic beverages. alpha-Viniferin is a constituent of Vitis vinifera (wine grape) α-Viniferin is an anti-inflammatory compound from Caragana chamlagu root[1].

   

Auranofin

[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(triethyl-lambda5-phosphanylidene)aurio]sulfanyl}oxan-2-yl]methyl acetate

C20H34AuO9PS (678.1327)


Auranofin is only found in individuals that have used or taken this drug. It is a organogold compound classified by the World Health Organization as an antirheumatic agent. Auranofin appears to induce heme oxygenase 1 (HO-1) mRNA. Heme oxygenase 1 is an inducible heme-degrading enzyme with anti-inflammatory properties.Exactly how auranofin works is not well understood. It may act as an inhibitor of kappab kinase and thioredoxin reductase which would lead to a decreased immune response and decreased free radical production, respectively. In patients with inflammatory arthritis, such as adult and juvenile rheumatoid arthritis, gold salts can decrease the inflammation of the joint lining. This effect can prevent destruction of bone and cartilage.

   

3,4,5-Tricaffeoylquinic acid

3,4,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)


   

Viniferin-alpha

(2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1^{2,5}.1^{10,13}.0^{21,25}.0^{9,27}.0^{17,26}]heptacosa-1(24),5(27),6,8,13(26),14,16,21(25),22-nonaene-7,15,23-triol

C42H30O9 (678.189)


α-Viniferin is an anti-inflammatory compound from Caragana chamlagu root[1].

   

1,3,5-tricaffeoylquinic acid

(3R,5R)-1,3,5-Tris[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)


   

3,4,5-Tricaffeoylquinic acid

1,3,5-Tri-O-caffeoylquinic acid

C34H30O15 (678.1585)


   

Apigenin 7- (4',6'-diacetylalloside) -4-alloside

7- (4-O,6-O-Diacetyl-beta-D-allopyranosyloxy) -4- (beta-D-allopyranosyloxy) -5-hydroxyflavone

C31H34O17 (678.1796)


   
   

Caragaphenol A

Caragaphenol A

C42H30O9 (678.189)


   

Kaempferol 3-(4,6-diacetylglucoside)-7-rhamnoside

7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(4,6-di-O-acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- 4H-1-benzopyran-4-one

C31H34O17 (678.1796)


   
   
   

Apigenin 7-(4,6-diacetylalloside)-4-alloside

Apigenin 7-(4,6-diacetylalloside)-4-alloside

C31H34O17 (678.1796)


   

Laminaribiose octaacetate

Laminaribiose octaacetate

C28H38O19 (678.2007)


   

Trehalose octaacetate

Trehalose octaacetate

C28H38O19 (678.2007)


   

1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose

1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose

C28H38O19 (678.2007)


   

laetevirenol B

laetevirenol B

C42H30O9 (678.189)


   

5,6,4-Trihydroxyflavone 7-O-??-L-2,3-di-O-acetylrhamnopyranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside

5,6,4-Trihydroxyflavone 7-O-??-L-2,3-di-O-acetylrhamnopyranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside

C31H34O17 (678.1796)


   

amurensin C

amurensin C

C42H30O9 (678.189)


   

D-Cellobiose octaacetate

D-Cellobiose octaacetate

C28H38O19 (678.2007)


   

1,4,5-Tri-O-caffeoylquinic acid

1,4,5-Tri-O-caffeoylquinic acid

C34H30O15 (678.1585)


   

Sophorose peracetate

Sophorose peracetate

C28H38O19 (678.2007)


   

melapinol B

melapinol B

C42H30O9 (678.189)


   

quercetin 3-O-alpha-L-(2,4-di-O-acetyl)rhamnopyranoside-7-O-alpha-L-rhamnopyranoside

quercetin 3-O-alpha-L-(2,4-di-O-acetyl)rhamnopyranoside-7-O-alpha-L-rhamnopyranoside

C31H34O17 (678.1796)


   

quercetin 3-O-alpha-L-(3,4-di-O-acetyl)rhamnopyranoside-7-O-alpha-L-rhamnopyranoside

quercetin 3-O-alpha-L-(3,4-di-O-acetyl)rhamnopyranoside-7-O-alpha-L-rhamnopyranoside

C31H34O17 (678.1796)


   

vatiparol

vatiparol

C42H30O9 (678.189)


   

amurensin D

amurensin D

C42H30O9 (678.189)


   

alpha-Viniferin

3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1^{2,5}.1^{10,13}.0^{21,25}.0^{9,27}.0^{17,26}]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


α-Viniferin is an anti-inflammatory compound from Caragana chamlagu root[1].

   

lyngbyabellin B

lyngbyabellin B

C28H40Cl2N4O7S2 (678.1715)


D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins

   

Melanoxylin B

Melanoxylin B

C42H30O9 (678.189)


   

Pelargonidin 3,5-di-(6-acetylglucoside)

Pelargonidin 3,5-di-(6-acetylglucoside)

C31H34O17 (678.1796)


   

Alpha-Viniferin

(2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


(+)-alpha-viniferin is a nine-membered macrocycle that incorporates three 6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuranyl moieties as part of the cyclic skeleton. It is isolated from Caragana chamlague Lamarck and exhibits significant inhibitory effect towards the enzyme acetylcholinesterase (EC 3.1.1.7). It has a role as an anti-inflammatory agent, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a plant metabolite. It is a polyphenol, a macrocycle and a member of 1-benzofurans. It is functionally related to a resveratrol. (+)-Alpha-Viniferin is a natural product found in Dipterocarpus grandiflorus, Shorea hemsleyana, and other organisms with data available. α-Viniferin is an anti-inflammatory compound from Caragana chamlagu root[1].

   

TCQA cpd

Cyclohexanecarboxylic acid, 3,4,5-tris(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-hydroxy-, (1alpha,3R,4alpha,5R)-

C34H30O15 (678.1585)


(3R,5R)-3,4,5-tris{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1-hydroxycyclohexane-1-carboxylic acid is an alkyl caffeate ester and a quinic acid.

   

(3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid

NCGC00169736-02!(3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)


   
   

Tricaffeoyl quinic acid

Tricaffeoyl quinic acid

C34H30O15 (678.1585)


Annotation level-3

   

delphinidin-3-O-(6-p-coumaryl)glucoside pyruvic acid

delphinidin-3-O-(6-p-coumaryl)glucoside pyruvic acid

C33H26O16 (678.1221)


   

Fluorescent Thiol Probe

N-[4-[(1E)-2-[4-cyano-5-(dicyanomethylene)-2,5-dihydro-2,2-dimethyl-3-furanyl]ethenyl]phenyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]2,4-dinitro-benzenesulfonamide

C31H30N6O10S (678.1744)


   

Octaacetylsucrose

[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetate

C28H38O19 (678.2007)


   

Octaacetyl-β-cellobiose

Octaacetyl-β-cellobiose

C28H38O19 (678.2007)


   
   

BIS(TRI-N-BUTYLTIN) SULFATE

BIS(TRI-N-BUTYLTIN) SULFATE

C24H54O4SSn2 (678.1787)


   

(R)-(-)-1-[(S)-2-Di-tert-butylphosphino)ferrocenyl]ethyldi-(4-trifluoromethylphenyl)phosphine

(R)-(-)-1-[(S)-2-Di-tert-butylphosphino)ferrocenyl]ethyldi-(4-trifluoromethylphenyl)phosphine

C34H38F6FeP2 (678.1702)


   

α-D-CELLOBIOSE OCTAACETATE

α-D-CELLOBIOSE OCTAACETATE

C28H38O19 (678.2007)


   
   

LACTOSE OCTAACETATE

LACTOSE OCTAACETATE

C28H38O19 (678.2007)


   

disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[ethyltoluenesulphonate]

disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[ethyltoluenesulphonate]

C32H28N2Na2O8S2 (678.1082)


   

alpha-D-Cellobiose octaacetate

alpha-D-Cellobiose octaacetate

C28H38O19 (678.2007)


   

2,2-Stilbenedisulfonic acid, 4,4-bis((4-amino-1-naphthyl)azo)-

2,2-Stilbenedisulfonic acid, 4,4-bis((4-amino-1-naphthyl)azo)-

C34H26N6O6S2 (678.1355)


   

maltose octaacetate

maltose octaacetate

C28H38O19 (678.2007)


   

alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetraacetate

alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetraacetate

C28H38O19 (678.2007)


   

Sucrose octaacetate

Sucrose octaacetate

C28H38O19 (678.2007)


   

alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->4)-alpha-D-Kdo

alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->4)-alpha-D-Kdo

C24H38O22 (678.1855)


   

alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo

alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo

C24H38O22 (678.1855)


   

Octa-O-acetylgentiobiose

Octa-O-acetylgentiobiose

C28H38O19 (678.2007)


   

Kdo(2->8)[Kdo(2->4)]Kdo

Kdo(2->8)[Kdo(2->4)]Kdo

C24H38O22 (678.1855)


   

[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3-hydroxypropanoylamino)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3-hydroxypropanoylamino)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

C20H32N4O18P2 (678.1187)


   

gentobiose octaacetate

gentobiose octaacetate

C28H38O19 (678.2007)


An acetate ester formed by total acetylation of gentobiose.

   

(+)-Alpha-Viniferin

(+)-Alpha-Viniferin

C42H30O9 (678.189)


A nine-membered macrocycle that incorporates three 6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuranyl moieties as part of the cyclic skeleton. It is isolated from Caragana chamlague Lamarck and exhibits significant inhibitory effect towards the enzyme acetylcholinesterase (EC 3.1.1.7).

   

3-(acetyloxy)-2-[(6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-hydroxy-6-methyloxan-4-yl acetate

3-(acetyloxy)-2-[(6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-hydroxy-6-methyloxan-4-yl acetate

C31H34O17 (678.1796)


   

(2r,3r,10r,11s,18s,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

(2r,3r,10r,11s,18s,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


   

2-(acetyloxy)-5-{5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-2-yl}phenyl acetate

2-(acetyloxy)-5-{5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-2-yl}phenyl acetate

C31H34O17 (678.1796)


   

2-(acetyloxy)-5-(5-hydroxy-4-oxo-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-2-yl)phenyl acetate

2-(acetyloxy)-5-(5-hydroxy-4-oxo-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-2-yl)phenyl acetate

C31H34O17 (678.1796)


   

6-(3,5-dihydroxyphenyl)-7,11,19-tris(4-hydroxyphenyl)-8,18-dioxapentacyclo[11.6.1.0²,¹⁰.0⁵,⁹.0¹⁷,²⁰]icosa-2,4,9,11,13,15,17(20)-heptaene-4,15-diol

6-(3,5-dihydroxyphenyl)-7,11,19-tris(4-hydroxyphenyl)-8,18-dioxapentacyclo[11.6.1.0²,¹⁰.0⁵,⁹.0¹⁷,²⁰]icosa-2,4,9,11,13,15,17(20)-heptaene-4,15-diol

C42H30O9 (678.189)


   

(1s,3r,4r,5r)-1,3,4-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxycyclohexane-1-carboxylic acid

(1s,3r,4r,5r)-1,3,4-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)


   

(2s,3s,10z,17r,18r)-3,18-bis(4-hydroxyphenyl)-10-[(4-hydroxyphenyl)methylidene]-4,19-dioxahexacyclo[15.6.1.1²,⁵.0¹¹,¹⁶.0²⁰,²⁴.0⁹,²⁵]pentacosa-1(23),5(25),6,8,11,13,15,20(24),21-nonaene-7,12,14,22-tetrol

(2s,3s,10z,17r,18r)-3,18-bis(4-hydroxyphenyl)-10-[(4-hydroxyphenyl)methylidene]-4,19-dioxahexacyclo[15.6.1.1²,⁵.0¹¹,¹⁶.0²⁰,²⁴.0⁹,²⁵]pentacosa-1(23),5(25),6,8,11,13,15,20(24),21-nonaene-7,12,14,22-tetrol

C42H30O9 (678.189)


   

5-[10-(3,5-dihydroxyphenyl)-6,11-bis(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol

5-[10-(3,5-dihydroxyphenyl)-6,11-bis(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol

C42H30O9 (678.189)


   

[3,4,5-tris(acetyloxy)-6-{[4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

[3,4,5-tris(acetyloxy)-6-{[4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

C28H38O19 (678.2007)


   

[3-(acetyloxy)-4,5-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-7-yl]oxy}oxan-2-yl]methyl acetate

[3-(acetyloxy)-4,5-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-7-yl]oxy}oxan-2-yl]methyl acetate

C31H34O17 (678.1796)


   

4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one

4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one

C36H30N4O8S (678.1784)


   

(2r,3r,10r,11r,18r,19r)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

(2r,3r,10r,11r,18r,19r)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


   

1,3,5-tri-o-caffeoylquinic acid

1,3,5-tri-O-caffeoylquinic acid; 1,3,5-tri-o-caffeoyl quinicacid

C34H30O15 (678.1585)


{"Ingredient_id": "HBIN001076","Ingredient_name": "1,3,5-tri-o-caffeoylquinic acid","Alias": "1,3,5-tri-O-caffeoylquinic acid; 1,3,5-tri-o-caffeoyl quinicacid","Ingredient_formula": "C34H30O15","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O","Ingredient_weight": "678.6 g/mol","OB_score": "3.009449084","CAS_id": "NA","SymMap_id": "SMIT12546","TCMID_id": "21536;41086","TCMSP_id": "MOL011675","TCM_ID_id": "NA","PubChem_id": "10190081","DrugBank_id": "NA"}

   

5,6,4'-trihydroxyflavone 7-o-α-l-2,3-di-o-acetylrhamnopyranosyl-(1→6)-β-d-glucopyra-noside

NA

C31H34O17 (678.1796)


{"Ingredient_id": "HBIN011087","Ingredient_name": "5,6,4'-trihydroxyflavone 7-o-\u03b1-l-2,3-di-o-acetylrhamnopyranosyl-(1\u21926)-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C31H34O17","Ingredient_Smile": "CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)OC(=O)C)OC(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21718","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

alpha viniferin

α-viniferin; alpha-viniferin

C42H30O9 (678.189)


{"Ingredient_id": "HBIN015744","Ingredient_name": "alpha viniferin","Alias": "\u03b1-viniferin; alpha-viniferin","Ingredient_formula": "C42H30O9","Ingredient_Smile": "C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O","Ingredient_weight": "678.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23235;22488","TCMSP_id": "NA","TCM_ID_id": "6982","PubChem_id": "138113868","DrugBank_id": "NA"}

   

amurensin d

NA

C42H30O9 (678.189)


{"Ingredient_id": "HBIN015918","Ingredient_name": "amurensin d","Alias": "NA","Ingredient_formula": "C42H30O9","Ingredient_Smile": "C1=CC(=CC=C1C=CC2=C3C(=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)OC(=C3C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O","Ingredient_weight": "678.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1093","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5318202","DrugBank_id": "NA"}

   

[(2r,3r,4s,5s)-3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[(2r,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetate

[(2r,3r,4s,5s)-3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[(2r,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetate

C28H38O19 (678.2007)


   

[(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

C28H38O19 (678.2007)


   

(2r,3r,4s,5s,6s)-4-(acetyloxy)-2-{[(2s,3s,4s,5s,6s)-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-hydroxy-6-methyloxan-3-yl acetate

(2r,3r,4s,5s,6s)-4-(acetyloxy)-2-{[(2s,3s,4s,5s,6s)-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-hydroxy-6-methyloxan-3-yl acetate

C31H34O17 (678.1796)


   

[(2r,3s,4s,5r,6s)-3-(acetyloxy)-4,5-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-7-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3s,4s,5r,6s)-3-(acetyloxy)-4,5-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-7-yl]oxy}oxan-2-yl]methyl acetate

C31H34O17 (678.1796)


   

1,3,4-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxycyclohexane-1-carboxylic acid

1,3,4-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)


   

(2r,3r,10z,17s,18s)-3,18-bis(4-hydroxyphenyl)-10-[(4-hydroxyphenyl)methylidene]-4,19-dioxahexacyclo[15.6.1.1²,⁵.0¹¹,¹⁶.0²⁰,²⁴.0⁹,²⁵]pentacosa-1(23),5(25),6,8,11,13,15,20(24),21-nonaene-7,12,14,22-tetrol

(2r,3r,10z,17s,18s)-3,18-bis(4-hydroxyphenyl)-10-[(4-hydroxyphenyl)methylidene]-4,19-dioxahexacyclo[15.6.1.1²,⁵.0¹¹,¹⁶.0²⁰,²⁴.0⁹,²⁵]pentacosa-1(23),5(25),6,8,11,13,15,20(24),21-nonaene-7,12,14,22-tetrol

C42H30O9 (678.189)


   

3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


   

(2s,3s,10r,11r,18s,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

(2s,3s,10r,11r,18s,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


   

5-[(10r,11s)-10-(3,5-dihydroxyphenyl)-5,11-bis(4-hydroxyphenyl)-8-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-6-yl]benzene-1,3-diol

5-[(10r,11s)-10-(3,5-dihydroxyphenyl)-5,11-bis(4-hydroxyphenyl)-8-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-6-yl]benzene-1,3-diol

C42H30O9 (678.189)


   

[(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6r)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6r)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

C28H38O19 (678.2007)


   

(1s,7s,14s,18s)-14-(4,4-dichloropentyl)-2,5-dihydroxy-18-(2-hydroxypropan-2-yl)-7-isopropyl-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.1⁸,¹¹]tricosa-2,5,8(23),10,19(22)-pentaene-12,16-dione

(1s,7s,14s,18s)-14-(4,4-dichloropentyl)-2,5-dihydroxy-18-(2-hydroxypropan-2-yl)-7-isopropyl-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.1⁸,¹¹]tricosa-2,5,8(23),10,19(22)-pentaene-12,16-dione

C28H40Cl2N4O7S2 (678.1715)


   

5-[(10s,11s)-10-(3,5-dihydroxyphenyl)-6,11-bis(4-hydroxyphenyl)-8-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol

5-[(10s,11s)-10-(3,5-dihydroxyphenyl)-6,11-bis(4-hydroxyphenyl)-8-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol

C42H30O9 (678.189)


   

(1r,7s,14s,18s)-14-(4,4-dichloropentyl)-2,5-dihydroxy-18-(2-hydroxypropan-2-yl)-7-isopropyl-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.1⁸,¹¹]tricosa-2,5,8(23),10,19(22)-pentaene-12,16-dione

(1r,7s,14s,18s)-14-(4,4-dichloropentyl)-2,5-dihydroxy-18-(2-hydroxypropan-2-yl)-7-isopropyl-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.1⁸,¹¹]tricosa-2,5,8(23),10,19(22)-pentaene-12,16-dione

C28H40Cl2N4O7S2 (678.1715)


   

(1s,3r,4s,5r)-3,4,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

(1s,3r,4s,5r)-3,4,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)


   

(2r,3r,10r,11r,18s,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

(2r,3r,10r,11r,18s,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


   

(7s)-14-(4,4-dichloropentyl)-2,5-dihydroxy-18-(2-hydroxypropan-2-yl)-7-isopropyl-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.1⁸,¹¹]tricosa-2,5,8(23),10,19(22)-pentaene-12,16-dione

(7s)-14-(4,4-dichloropentyl)-2,5-dihydroxy-18-(2-hydroxypropan-2-yl)-7-isopropyl-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.1⁸,¹¹]tricosa-2,5,8(23),10,19(22)-pentaene-12,16-dione

C28H40Cl2N4O7S2 (678.1715)


   

(1s,3r,4s,5r)-1,3,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid

(1s,3r,4s,5r)-1,3,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)


   

5-[(11s)-10-(3,5-dihydroxyphenyl)-6,11-bis(4-hydroxyphenyl)-8-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol

5-[(11s)-10-(3,5-dihydroxyphenyl)-6,11-bis(4-hydroxyphenyl)-8-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol

C42H30O9 (678.189)


   

(2s,10r,18s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

(2s,10r,18s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


   

(2s,3r,10r,11r,18s,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

(2s,3r,10r,11r,18s,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


   

1,3,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid

1,3,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)


   

(4s,5s,8r,9r)-5,8-bis(3,5-dihydroxyphenyl)-4,9-bis(4-hydroxyphenyl)-4h,5h,8h,9h-acephenanthryleno[9,8-b]furan-1,3-diol

(4s,5s,8r,9r)-5,8-bis(3,5-dihydroxyphenyl)-4,9-bis(4-hydroxyphenyl)-4h,5h,8h,9h-acephenanthryleno[9,8-b]furan-1,3-diol

C42H30O9 (678.189)


   

[(2s,3s,4r,5r,6s)-3-(acetyloxy)-4,5-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-7-yl]oxy}oxan-2-yl]methyl acetate

[(2s,3s,4r,5r,6s)-3-(acetyloxy)-4,5-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-7-yl]oxy}oxan-2-yl]methyl acetate

C31H34O17 (678.1796)


   

(2r,3r,6r)-6-(carboxymethyl)-12-({[(2r,3s,4s,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}carbonyl)-9,10-dihydroxy-5-oxo-4,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-3-carboxylic acid

(2r,3r,6r)-6-(carboxymethyl)-12-({[(2r,3s,4s,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}carbonyl)-9,10-dihydroxy-5-oxo-4,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-3-carboxylic acid

C29H26O19 (678.1068)


   

14-(4,4-dichloropentyl)-2,5-dihydroxy-18-(2-hydroxypropan-2-yl)-7-isopropyl-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.1⁸,¹¹]tricosa-2,5,8(23),10,19(22)-pentaene-12,16-dione

14-(4,4-dichloropentyl)-2,5-dihydroxy-18-(2-hydroxypropan-2-yl)-7-isopropyl-15,15-dimethyl-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.1⁸,¹¹]tricosa-2,5,8(23),10,19(22)-pentaene-12,16-dione

C28H40Cl2N4O7S2 (678.1715)


   

(2r,3s,10r,11r,18r,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

(2r,3s,10r,11r,18r,19s)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-7,15,23-triol

C42H30O9 (678.189)


   

3,18-bis(4-hydroxyphenyl)-10-[(4-hydroxyphenyl)methylidene]-4,19-dioxahexacyclo[15.6.1.1²,⁵.0¹¹,¹⁶.0²⁰,²⁴.0⁹,²⁵]pentacosa-1(23),5(25),6,8,11,13,15,20(24),21-nonaene-7,12,14,22-tetrol

3,18-bis(4-hydroxyphenyl)-10-[(4-hydroxyphenyl)methylidene]-4,19-dioxahexacyclo[15.6.1.1²,⁵.0¹¹,¹⁶.0²⁰,²⁴.0⁹,²⁵]pentacosa-1(23),5(25),6,8,11,13,15,20(24),21-nonaene-7,12,14,22-tetrol

C42H30O9 (678.189)


   

5,8-bis(3,5-dihydroxyphenyl)-4,9-bis(4-hydroxyphenyl)-4h,5h,8h,9h-acephenanthryleno[9,8-b]furan-1,3-diol

5,8-bis(3,5-dihydroxyphenyl)-4,9-bis(4-hydroxyphenyl)-4h,5h,8h,9h-acephenanthryleno[9,8-b]furan-1,3-diol

C42H30O9 (678.189)


   

5-[10-(3,5-dihydroxyphenyl)-5,11-bis(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-6-yl]benzene-1,3-diol

5-[10-(3,5-dihydroxyphenyl)-5,11-bis(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethenyl]-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-6-yl]benzene-1,3-diol

C42H30O9 (678.189)


   

(1s,6r,7r,19s)-6-(3,5-dihydroxyphenyl)-7,11,19-tris(4-hydroxyphenyl)-8,18-dioxapentacyclo[11.6.1.0²,¹⁰.0⁵,⁹.0¹⁷,²⁰]icosa-2,4,9,11,13,15,17(20)-heptaene-4,15-diol

(1s,6r,7r,19s)-6-(3,5-dihydroxyphenyl)-7,11,19-tris(4-hydroxyphenyl)-8,18-dioxapentacyclo[11.6.1.0²,¹⁰.0⁵,⁹.0¹⁷,²⁰]icosa-2,4,9,11,13,15,17(20)-heptaene-4,15-diol

C42H30O9 (678.189)


   

(1r,3r,4r,5r)-3,4,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

(1r,3r,4r,5r)-3,4,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.1585)