Exact Mass: 528.1267703999999

Exact Mass Matches: 528.1267703999999

Found 242 metabolites which its exact mass value is equals to given mass value 528.1267703999999, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Tremulacin

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(1-hydroxy-6-oxo-cyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]tetrahydropyran-3-yl] benzoate

C27H28O11 (528.1631538)

Tremulacin is a glycoside. Tremulacin is a natural product found in Populus tremula, Populus tomentosa, and other organisms with data available.

Mahuannin D

ent-apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechin

C30H24O9 (528.1420254)

A proanthocyanidin isolated form Ephedra sinica.

17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,14S,15S)-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-yl]oxy}oxane-2-carboxylic acid

C24H32O11S (528.1665242)

17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide) is a natural human metabolite of 17beta-estradiol 3-sulfate generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide) is a natural human metabolite of 17beta-estradiol 3-sulfate generated in the liver by UDP glucuonyltransferase.

Estradiol 3-glucuronide 17beta-sulfate

17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate

C24H32O11S (528.1665242)

Cefquinome

1-({7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-5,6,7,8-tetrahydroquinolin-1-ium

C23H24N6O5S2 (528.1249534)

Lactose citrate

1,8,9,10-tetrahydroxy-5-(hydroxymethyl)-7-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,6,11,15-tetraoxatricyclo[7.3.3.0^{5,10}]pentadecane-3,12,14-trione

C18H24O18 (528.0962604)

Razaxaban

N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-1-(3-imino-2,3-dihydro-1,2-benzoxazol-5-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboximidic acid

C24H20F4N8O2 (528.1645268)

1H-Cyclohepta(ghi)perylene-5,12-dione, 3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-

19-acetyl-12,13-dihydroxy-7,9,14,20-tetramethoxy-17-methylhexacyclo[13.8.0.0^{2,11}.0^{3,8}.0^{4,22}.0^{18,23}]tricosa-1(23),2,4(22),6,8,10,12,14,17,19-decaene-5,21-dione

C30H24O9 (528.1420254)

D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D003879 - Dermatologic Agents

Hypocrellin C

12-acetyl-9,17-dihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,12,16,18(23),20-decaene-7,19-dione

C30H24O9 (528.1420254)

Hypocrellin b is a natural product found in Shiraia bambusicola with data available. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3]. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3].

HypocrellinC

12-acetyl-9,17-dihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,12,16,18(23),20-decaene-7,19-dione

C30H24O9 (528.1420254)

2-(4-Hydroxyphenyl)-3-(2,4-dihydroxybenzoyl)-5,4-[4,6-dihydroxy-1,2-phenyleneoxy(4-hydroxyphenylmethylene)]tetrahydrofuran

C30H24O9 (528.1420254)

Cordigone

[Tetrahydro-2,5-bis(4-hydroxyphenyl)-3,4-furandiyl]bis[(2,4-dihydroxyphenyl)methanone

C30H24O9 (528.1420254)

Daphnodorin J

(2S)-[3,4,8,9-Tetrahydro-5-hydroxy-2,8-bis(4-hydroxyphenyl)-2H-furo[2,3-h]-1-benzopyran-9-yl](2,4,6-trihydroxyphenyl)methanone

C30H24O9 (528.1420254)

CHLOROCYCLINONE C

C26H21ClO10 (528.0823196)

Rubrosulphin

C29H20O10 (528.105642)

Globularioside

C24H29ClO11 (528.1398314)

F 13459

C27H28O11 (528.1631538)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate

C26H24O12 (528.1267703999999)

HAEMATOXYLIN PENTAACETATE

C26H24O12 (528.1267703999999)

Carboline metabolite (C26H28N2O10)

C26H28N2O10 (528.1743868)

Annotation level-3

Malvidin 3-O-galactoside

C23H25ClO12 (528.1034480000001)

7-oxo-3,8,9-trihydroxystaurosporine trifluoroacetate

C28H24N4O7 (528.1644914)

Diacetylpratensin B

C27H28O11 (528.1631538)

O-(4-deoxy-alpha-L-erythro-hex-4-enopyranosyluronic acid)-(1<>4)-O-(beta-D-mannopyranuronic acid)-(1<>4)-O-D-mannopyranuronic acid

O-(4-deoxy-alpha-L-erythro-hex-4-enopyranosyluronic acid)-(1<*>4)-O-(beta-D-mannopyranuronic acid)-(1<*>4)-O-D-mannopyranuronic acid

C18H24O18 (528.0962604)

Chrysoaphin-sl-1|Chrysoaphin-sl-2|chrysoaphin-Slambda-2

C30H24O9 (528.1420254)

biselide A

C25H33ClO10 (528.1762148)

elenoside|NSC 6440013-W/1

C26H24O12 (528.1267703999999)

3,5-dihydroxy-2-[(4-hydroxyphenyl)carbonyl]phenyl 6-O-[(4-hydroxyphenyl)carbonyl]-beta-D-glucopyranoside|iriflophenone 2-O-[6-O-(4-hydroxybenzoyl)]-beta-D-glucopyranoside

C26H24O12 (528.1267703999999)

TAN-1496 A

C22H28N2O9S2 (528.1236158)

Austrovenetin

C30H24O9 (528.1420254)

(10S)-C-(5-O-acetyl-3-O-senecioyl)-beta-D-xylopyranosyl-1,8,10-trihydroxy-3-methyl-anthracen-9-one|alvaradoin J

C27H28O11 (528.1631538)

2-methoxy-5-(1,2,3-trihydroxypropyl)-phenyl-1-O-(6-galloyl)-beta-D-glucopyranoside|2-Methoxy-5-(1,2,3-trihydroxypropyl)-phenyl-1-O-(6-galloyl)-??-D-glucopyranoside

C23H28O14 (528.1478988)

C27H28O11

C27H28O11 (528.1631538)

4,5-di-O-caffeoyldaucic acid

C25H20O13 (528.090387)

Deoxypurpurogenon

C29H20O10 (528.105642)

NSC170117

C23H28O10S2 (528.1123828000001)

3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

NCGC00381247-01!3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

C23H28O14 (528.1478988)

8-galloyl desbenzoylpaeoniflorin

C23H28O14 (528.1478988)

hovenin C

C26H24O12 (528.1267703999999)

C26H24O12

C26H24O12 (528.1267703999999)

hovenin A|{(2R,3R)-3,5,7,5-tetrahydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin-6-yl]-chroman-4-one}

C26H24O12 (528.1267703999999)

D-threo-guaiacylglycerol 8-O-beta-D-(6-O-galloyl)glucopyranoside

C23H28O14 (528.1478988)

C29H20O10

C29H20O10 (528.105642)

Griseorhodin C

C25H20O13 (528.090387)

4-((2,4-dihydroxy-4-(hydroxymethyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone|selaginellin I

C34H24O6 (528.1572804)

Boehmerin

C26H24O12 (528.1267703999999)

6-O-galloyl desbenzoylalbiflorin

C23H28O14 (528.1478988)

1-(3-beta-D-glucosyloxy-4-hydroxyphenyl)-3-hydroxymethyl-4-methoxy-6,7-methylenedioxy-2-naphthoic acid lactone|justalakonin

C26H24O12 (528.1267703999999)

C26H28N2O10

C26H28N2O10 (528.1743868)

4-O-(3,4-methylendioxybenzoyl)diphyllin

C29H20O10 (528.105642)

(2S)-dihydrotricin 4-O-(erythro-beta-guaiacylglyceryl) ether|(2S)-dihydrotricin 4-O-(threo-beta-guaiacylglyceryl) ether|calquiquelignan A|calquiquelignan B

C27H28O11 (528.1631538)

4-((3-((3,4-dihydroxyphenyl)ethynyl)-4-hydroxy-4-(hydroxymethyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone|selaginellin J

C34H24O6 (528.1572804)

A 80915A

C26H31Cl3O5 (528.1236966)

2-(4-Hydroxyphenyl)-3-(2,4-dihydroxybenzoyl)-4-(4-hydroxybenzoyl)-5-(2,4-dihydroxyphenyl)tetrahydrofuran

C30H24O9 (528.1420254)

Oenin

Malvidin-3-O-glucoside chloride OENIN OENIN CHLORIDE ENIN CHLORIDE CYCLAMIN CYCLAMIN CHLORIDE MALVIDIN-3-BETA-GLUCOSIDE MALVIDIN-3-GLUCOSIDE MALVIDIN-3-GLUCOSIDE CHLORIDE MALVIDIN-3-O-GLUCOSIDE CHLORIDE 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydr

C23H25ClO12 (528.1034480000001)

Primulin_(anthocyanin)

5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride

C23H25ClO12 (528.1034480000001)

Malvidin 3-galactoside is an anthocyanidin glycoside.

(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

NCGC00385232-01!(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

C25H20O13 (528.090387)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate

NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate

C26H24O12 (528.1267703999999)

(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid [IIN-based: Match]

NCGC00385232-01!(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid [IIN-based: Match]

C25H20O13 (528.090387)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based: Match]

NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based: Match]

C26H24O12 (528.1267703999999)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based on: CCMSLIB00000847571]

NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based on: CCMSLIB00000847571]

C26H24O12 (528.1267703999999)

N2-Aristololactam-II-deoxyguanosine

C26H20N6O7 (528.1393410000001)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate_major

C26H24O12 (528.1267703999999)

HAEMATOXYLIN PENTAACETATE_major

C26H24O12 (528.1267703999999)

Cys Asp Glu Tyr

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Cys Asp Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C21H28N4O10S (528.1526068000001)

Cys Glu Asp Tyr

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Cys Glu Phe Met

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Cys Glu Met Phe

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Cys Glu Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C21H28N4O10S (528.1526068000001)

Cys Phe Glu Met

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Cys Phe Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C22H32N4O7S2 (528.1712322)

Cys Met Glu Phe

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Cys Met Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]pentanedioic acid

C22H32N4O7S2 (528.1712322)

Cys Tyr Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]pentanedioic acid

C21H28N4O10S (528.1526068000001)

Cys Tyr Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]butanedioic acid

C21H28N4O10S (528.1526068000001)

Asp Cys Glu Tyr

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Asp Cys Tyr Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C21H28N4O10S (528.1526068000001)

Asp Glu Cys Tyr

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Asp Glu Tyr Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Asp Tyr Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C21H28N4O10S (528.1526068000001)

Asp Tyr Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Glu Cys Asp Tyr

(4S)-4-amino-4-{[(1R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Glu Cys Phe Met

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Glu Cys Met Phe

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Glu Cys Tyr Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C21H28N4O10S (528.1526068000001)

Glu Asp Cys Tyr

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Glu Asp Tyr Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Glu Phe Cys Met

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Glu Phe Met Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Glu Met Cys Phe

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Glu Met Phe Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Glu Tyr Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]butanedioic acid

C21H28N4O10S (528.1526068000001)

Glu Tyr Asp Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Phe Cys Glu Met

(4S)-4-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Phe Cys Met Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C22H32N4O7S2 (528.1712322)

Phe Glu Cys Met

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Phe Glu Met Cys

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Phe Met Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid

C22H32N4O7S2 (528.1712322)

Phe Met Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Met Cys Glu Phe

(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Met Cys Phe Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]pentanedioic acid

C22H32N4O7S2 (528.1712322)

Met Glu Cys Phe

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Met Glu Phe Cys

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Met Phe Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C22H32N4O7S2 (528.1712322)

Met Phe Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O7S2 (528.1712322)

Tyr Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

C21H28N4O10S (528.1526068000001)

Tyr Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C21H28N4O10S (528.1526068000001)

Tyr Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C21H28N4O10S (528.1526068000001)

Tyr Asp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

Tyr Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C21H28N4O10S (528.1526068000001)

Tyr Glu Asp Cys

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C21H28N4O10S (528.1526068000001)

17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)

C24H32O11S (528.1665242)

C.I. Direct Black 17

C24H21N6NaO5S (528.1191776000001)

Imcarbofos

C17H30N4O7P2S2 (528.103109)

C254 - Anti-Infective Agent > C276 - Antiparasitic Agent

Cefquinome

C23H24N6O5S2 (528.1249534)

[1,1-Binaphthalene]-2,2-diol, 3,3-bis(4-nitrophenyl)-, (1S)

C32H20N2O6 (528.13213)

Sivelestat Sodium

Sivelestat Sodium tetrahydrate

C20H29N2NaO11S (528.1389684000001)

D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

zinc bis(dipentyldithiocarbamate)

C22H44N2S4Zn (528.1678634)

Razaxaban

C24H20F4N8O2 (528.1645268)

C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173067 - Direct Factor Xa Inhibitor C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C180619 - Direct Oral Anticoagulant

Nizofenone fumarate

C25H25ClN4O7 (528.141169)

D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents

3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

C23H28O14 (528.1478988)

dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose

C17H28N3O12P2- (528.1148168000001)

dTDP-3-amino-4-dehydro-2,3,6-trideoxy-alpha-D-glucose

C16H24N3O13P2- (528.0784334)

dTDP-3-amino-4-dehydro-2,3,6-trideoxy-beta-L-glucose

C16H24N3O13P2- (528.0784334)

(2S,3R,4S)-2-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C18H24O18 (528.0962604)

4-O-[4-O-(4-Deoxy-beta-L-threo-hexa-4-enopyranuronosyl)-alpha-D-galactopyranuronosyl]-alpha-D-galactopyranuronic acid

C18H24O18 (528.0962604)

7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C23H24N6O5S2 (528.1249534)

1,8,9,10-Tetrahydroxy-5-(hydroxymethyl)-7-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,6,11,15-tetraoxatricyclo[7.3.3.05,10]pentadecane-3,12,14-trione

C18H24O18 (528.0962604)

7-Oxo-3,8,9-trihydroxy staurosporine

C28H24N4O7 (528.1644914)

A indolocarbazole alkaloid that is staurosporine substituted by hydroxy groups at positions 3, 8 and 9 and an oxo group at position 7. Isolated from Cystodytes solitus, it exhibits cytotoxic activity.

Alvaradoin J

C27H28O11 (528.1631538)

A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.

Alvaradoin I

C27H28O11 (528.1631538)

A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.

ent-apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechin

C30H24O9 (528.1420254)

3-[[2-(4-Bromophenyl)-1-oxoethyl]amino]-3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]propanamide

C24H22BrFN4O4 (528.0808364)

N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide

C27H32N2O5S2 (528.1752542)

N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide

C27H32N2O5S2 (528.1752542)

17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate

C24H32O11S (528.1665242)

3,4,5-trihydroxy-6-[[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-sulino-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid

C22H24O13S (528.0937574)

(3R,4S)-2-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C18H24O18 (528.0962604)

(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid

C24H32O11S (528.1665242)

(2S,3R,4S,5R,6S)-3,5-dihydroxy-6-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid

C24H32O11S (528.1665242)

(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

C25H20O13 (528.090387)

3-[2-O-(4-Hydroxybenzoyl)-beta-D-glucopyranosyl]-2,4,4,6-tetrahydroxybenzophenone

C26H24O12 (528.1267703999999)

dG-AL-II

C26H20N6O7 (528.1393410000001)

2-(1-(2,4-Dinitrophenylhydrazonomethyl)ethyl)-5-methylcyclopentanecarbaldehyde 2,4-dinitrophenylhydrazone

C22H24N8O8 (528.1717024)

dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-)

C17H28N3O12P2 (528.1148168000001)

A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3.

Estradiol 17beta-glucuronide 3-sulfate

estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-D-glucuronide

C24H32O11S (528.1665242)

3-Carboxy-1-hydroxypropylthiamine diphosphate

C16H26N4O10P2S (528.0844836)

A 1,3-thiazolium cation that is 1,3-thiazol-3-ium substituted by a methyl group at position 4, a (4-amino-2-methylpyrimidin-5-yl)methyl group at position 3, a 3-carboxy-1-hydroxypropyl at position 2 and a 2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl group at position 5.

ST 24:5;O8;S

C24H32O11S (528.1665242)

KRAS G12C inhibitor 19

C25H19ClF2N4O3S (528.0834398000001)

KRAS G12C inhibitor 19 is a potent inhibitor of KRAS G12C. KRAS G12C inhibitor 19 significantly inhibits tumor growth (extracted from patent WO2021118877A1)[1].

LUT014

C27H19F3N8O (528.1633840000001)

LUT014 is a B-Raf inhibitor with an IC50 of 11.7 nM, and developed to reduce dose-limiting acneiform lesions associated EGFR Inhibitors treatment. Extracted from patent WO 2019026065A2 [1].

PSB-603

C24H25ClN6O4S (528.134644)

PSB-603 is a potent and highly selective A2B adenosine receptor antagonist exhibiting a Ki value of 0.553 nM and virtually no affinity for the human and rat A1 and A2A and the human A3 receptors up to a concentration of 10 μM[1].

Relenopride (hydrochloride)

C24H31Cl2FN4O4 (528.1706277999999)

Relenopride (YKP10811) hydrochloride is a specific and selective 5-HT4 receptor agonist (Ki=4.96 nM). Relenopride hydrochloride has 120-fold and 6-fold lower affinity, respectively, for 5-HT2A (Ki=600 nM) and 5-HT2B receptors (Ki=31 nM) than for 5-HT4. Relenopride hydrochloride increases gastrointestinal (GI) motility[1][2].

UGT8-IN-1

C20H22F6N4O4S (528.1265884)

UGT8-IN-1 is a brain penetrable and orally active inhibitor of ceramide galactosyltransferase enzyme (UGT8). UGT8-IN-1 can be used in the study for lysosomal storage disorders[1].

(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-4-yl benzoate

C27H28O11 (528.1631538)

[(2r,3s,4s,5r,6r)-6-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C23H28O14 (528.1478988)

3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydro-2h-pyran-2,6-dicarboxylic acid

C25H20O13 (528.090387)

(3ar,4r,9r,9as)-9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl (2e)-2-methylbut-2-enoate

C27H28O11 (528.1631538)

(2r,3r,4r,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-6-[(9s)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate

C27H28O11 (528.1631538)

[(2r,3s,4s,5r,6r)-6-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C23H28O14 (528.1478988)

4,5,6-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}cyclohexa[g]chromen-8-one

C29H20O10 (528.105642)

5-[(10s,11s)-10-(3,5-dihydroxyphenyl)-11-(4-hydroxy-3-methoxyphenyl)-2-methoxy-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol

C30H24O9 (528.1420254)

11,12,18,23-tetrahydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one

11,12,18,23-tetrahydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one

C28H24N4O7 (528.1644914)

8-O-galloyl desbenzoylpaeoniflorin

C23H28O14 (528.1478988)

{"Ingredient_id": "HBIN013857","Ingredient_name": "8-O-galloyl desbenzoylpaeoniflorin","Alias": "NA","Ingredient_formula": "C23H28O14","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC(=C(C(=C5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O","Ingredient_weight": "528.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34553","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15450040","DrugBank_id": "NA"}

4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5-dihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

C27H28O11 (528.1631538)

8,11,16,20,27-pentahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

C29H20O10 (528.105642)

(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-3-yl benzoate

C27H28O11 (528.1631538)

[(1s,4as,5s,6s,7r,7as)-6-chloro-5,7-dihydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl (2e)-3-phenylprop-2-enoate

C24H29ClO11 (528.1398314)

(6-chloro-5,7-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl)methyl 3-phenylprop-2-enoate

C24H29ClO11 (528.1398314)

(2s,3r,4s)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydro-2h-pyran-2,6-dicarboxylic acid

C25H20O13 (528.090387)

5-(acetyloxy)-2-[4-(acetyloxy)phenyl]-3,6,7-trimethoxy-4-oxochromen-8-yl 2-methylbutanoate

C27H28O11 (528.1631538)

3-acetyl-4a-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione

C27H28O11 (528.1631538)

(2r,3r,3'r,4's,9r,9as)-3,3',4,4',9,10'-hexahydroxy-7-methoxy-7'-methyl-3',4',9,9a-tetrahydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-5,8,9'-trione

C25H20O13 (528.090387)

5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-5,6-dihydro-4h-pyran-3-carboxylic acid

C23H28O14 (528.1478988)

[(1s,4ar,5s,6s,7r,7as)-6-chloro-5,7-dihydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl (2e)-3-phenylprop-2-enoate

C24H29ClO11 (528.1398314)

3,6,8-trihydroxy-3-methyl-1-oxo-4h-2-benzopyran-4-yl (4e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoate

C27H28O11 (528.1631538)

(1s,5r,6r,13s)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol

C30H24O9 (528.1420254)

5-(acetyloxy)-2-[4-(acetyloxy)phenyl]-3,6,7-trimethoxy-4-oxochromen-8-yl (2r)-2-methylbutanoate

C27H28O11 (528.1631538)

[(2r,3s,4s,5r,6s)-6-[4-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

C26H24O12 (528.1267703999999)

5-(2,4-dihydroxybenzoyl)-4,7-bis(4-hydroxyphenyl)-3,8-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-triene-11,13-diol

C30H24O9 (528.1420254)

9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl 2-methylbut-2-enoate

C27H28O11 (528.1631538)

(3r,10ar)-3-chloro-10a-{[(3s,6s)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-4a,6,8-trihydroxy-2,2,7-trimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione

C26H34Cl2O7 (528.1681474)

(6-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

C23H28O14 (528.1478988)

2-[(3r,4s,12s)-8-hydroxy-4,12-bis(4-hydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-3-carbonyl]benzene-1,3,5-triol

C30H24O9 (528.1420254)

4-(2h-1,3-benzodioxol-5-yl)-6-hydroxy-9-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one

C26H24O12 (528.1267703999999)

(3ar,4r,9r,9as)-9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl (2z)-2-methylbut-2-enoate

C27H28O11 (528.1631538)

4,5-bis(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-10-oxo-9h-anthracen-2-yl)oxy]-6-methyloxan-3-yl acetate

C27H28O11 (528.1631538)

10-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-16-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one

C26H24O12 (528.1267703999999)

12-acetyl-9,17-dihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2(11),3(8),4(22),5,9,12,16,18(23),20-decaene-7,19-dione

C30H24O9 (528.1420254)

4-{[2',4'-dihydroxy-4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethynyl]-[1,1'-biphenyl]-2-yl](4-hydroxyphenyl)methylidene}cyclohexa-2,5-dien-1-one

C34H24O6 (528.1572804)

2,2',4,4',5',7,10-heptahydroxy-7,7'-dimethyl-6,8-dihydro-9'h-[1,1'-bianthracene]-5,10'-dione

C30H24O9 (528.1420254)

(2r,4s,5s,6s,7s)-5-(2,4-dihydroxybenzoyl)-4,7-bis(4-hydroxyphenyl)-3,8-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-triene-11,13-diol

C30H24O9 (528.1420254)

(5r,6r,13s)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol

C30H24O9 (528.1420254)

methyl 2-chloro-6,8-dihydroxy-9-[(1s)-1-[(2-hydroxyacetyl)oxy]ethyl]-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

C26H21ClO10 (528.0823196)

5-ethenyl-4-({6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

C26H28N2O10 (528.1743868)

4-[(2s,3s,4s,5r)-4-(2,4-dihydroxybenzoyl)-2,5-bis(4-hydroxyphenyl)oxolane-3-carbonyl]benzene-1,3-diol

C30H24O9 (528.1420254)

(1r,4r,15r,26r,27s)-8,11,16,20,27-pentahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

C29H20O10 (528.105642)

4-[(2s,3s,4s,5s)-4-(2,4-dihydroxybenzoyl)-2,5-bis(4-hydroxyphenyl)oxolane-3-carbonyl]benzene-1,3-diol

C30H24O9 (528.1420254)

methyl 2-chloro-6,8-dihydroxy-9-{1-[(2-hydroxyacetyl)oxy]ethyl}-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

C26H21ClO10 (528.0823196)

(1r,2r,5r,9s,10s)-5-ethenyl-2-hydroxy-5,11,11-trimethyl-8,15-dioxo-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadec-6-en-9-yl 4-bromobenzoate

C27H29BrO6 (528.1147394)

(2r,3s,4r,5s,6r)-3,5-dihydroxy-2-{2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-4-yl benzoate

C27H28O11 (528.1631538)

(2s,4r)-4-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-2,5-dihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

C27H28O11 (528.1631538)

(2s,3r,4r,5s,6s)-4,5-bis(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-10-oxo-9h-anthracen-2-yl)oxy]-6-methyloxan-3-yl acetate

C27H28O11 (528.1631538)

4-[4-(2,4-dihydroxybenzoyl)-2,5-bis(4-hydroxyphenyl)oxolane-3-carbonyl]benzene-1,3-diol

C30H24O9 (528.1420254)

3,3',4,4',9,10'-hexahydroxy-7-methoxy-7'-methyl-3',4',9,9a-tetrahydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-5,8,9'-trione

C25H20O13 (528.090387)

5-[10-(3,5-dihydroxyphenyl)-11-(4-hydroxy-3-methoxyphenyl)-2-methoxy-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol

C30H24O9 (528.1420254)

4-({3-[2-(3,4-dihydroxyphenyl)ethynyl]-4'-hydroxy-4-(hydroxymethyl)-[1,1'-biphenyl]-2-yl}(4-hydroxyphenyl)methylidene)cyclohexa-2,5-dien-1-one

C34H24O6 (528.1572804)

(2r,3r,4r,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-6-[(9r)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate

C27H28O11 (528.1631538)

4,5-dihydroxy-2-{2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate

C27H28O11 (528.1631538)

(2r,4r,5r,6s)-11,12,18,23-tetrahydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one

(2r,4r,5r,6s)-11,12,18,23-tetrahydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one

C28H24N4O7 (528.1644914)

5-methylheptyl 3,5-dichloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

C25H30Cl2O8 (528.131764)

5,6-dihydroxy-3,7-dimethoxy-2-(4-methoxy-2,3-diphenoxyphenyl)chromen-4-one

C30H24O9 (528.1420254)

2-[(3s,4s,12s)-8-hydroxy-4,12-bis(4-hydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-3-carbonyl]benzene-1,3,5-triol

C30H24O9 (528.1420254)

4-[(2s,3r,4r,5r)-4-(2,4-dihydroxybenzoyl)-2,5-bis(4-hydroxyphenyl)oxolane-3-carbonyl]benzene-1,3-diol

C30H24O9 (528.1420254)

4-(2h-1,3-benzodioxol-5-yl)-6-hydroxy-9-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one

C26H24O12 (528.1267703999999)

(1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione

C27H28O11 (528.1631538)

{6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoate

C26H24O12 (528.1267703999999)

2-(acetyloxy)-3,5-dihydroxy-6-(4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl)oxan-4-yl 3-methylbut-2-enoate

C27H28O11 (528.1631538)

14-acetyl-7,19-dihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3,5,7,10,13,15,18(23),19,21-decaene-9,17-dione

C30H24O9 (528.1420254)

2-[8-hydroxy-4,12-bis(4-hydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-3-carbonyl]benzene-1,3,5-triol

C30H24O9 (528.1420254)

(1'r,2r,3's,4's,5r,7'r,10'r)-4'-(acetyloxy)-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-3,9',13'-trioxo-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecan]-3'-yl acetate

(1'r,2r,3's,4's,5r,7'r,10'r)-4'-(acetyloxy)-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-3,9',13'-trioxo-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecan]-3'-yl acetate

C22H28N2O9S2 (528.1236158)

10-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-16-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one

C26H24O12 (528.1267703999999)

(4s,5r,6s)-5-ethenyl-4-({6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}methyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

C26H28N2O10 (528.1743868)

(2s,4s,5s,6r,7r)-5-(2,4-dihydroxybenzoyl)-4,7-bis(4-hydroxyphenyl)-3,8-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-triene-11,13-diol

C30H24O9 (528.1420254)

(4s,5r,6s)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-5,6-dihydro-4h-pyran-3-carboxylic acid

C23H28O14 (528.1478988)

[(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

C26H24O12 (528.1267703999999)

5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol

C30H24O9 (528.1420254)