Exact Mass: 380.0756812
Exact Mass Matches: 380.0756812
Found 325 metabolites which its exact mass value is equals to given mass value 380.0756812,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Meticillin
C17H20N2O6S (380.10420200000004)
Meticillin is only found in individuals that have used or taken this drug. It is one of the penicillins which is resistant to penicillinase but susceptible to a penicillin-binding protein. It is inactivated by gastric acid so administered by injection. [PubChem]Like other beta-lactam antibiotics, meticillin acts by inhibiting the synthesis of bacterial cell walls. It inhibits cross-linkage between the linear peptidoglycan polymer chains that make up a major component of the cell wall of Gram-positive bacteria. It does this by binding to and competitively inhibiting the transpeptidase enzyme used by bacteria to cross-link the peptide (D-alanyl-alanine) used in peptidogylcan synthesis. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Diphyllin
Diphyllin is a lignan. Diphyllin is a natural product found in Haplophyllum alberti-regelii, Haplophyllum bucharicum, and other organisms with data available. Origin: Plant Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3]. Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3].
Tetracenomycin D3
A tetracenomycin that is 1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12.
Chlorotrianisene
C23H21ClO3 (380.11791460000006)
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D000970 - Antineoplastic Agents
Rhodamine 123
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Rhodamine 123
C21H17ClN2O3 (380.09276420000003)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Chlorotrianisene
C23H21ClO3 (380.11791460000006)
Chlorotrianisene is only found in individuals that have used or taken this drug. It is a powerful synthetic, non-steroidal estrogen.Chlorotrianisene binds to the estrogen receptor on various estrogen receptor bearing cells. Target cells include cells in the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D000970 - Antineoplastic Agents
4-Methoxybenzyl O-(2-sulfoglucoside)
4-Methoxybenzyl O-(2-sulfoglucoside) is found in herbs and spices. 4-Methoxybenzyl O-(2-sulfoglucoside) is found in fenne Found in fennel
Bmn-673 8R,9S
C19H14F2N6O (380.11970979999995)
5'-Sulfamoyl-2-chloroadenosine
C10H13ClN6O6S (380.03057880000006)
Piclamilast
C18H18Cl2N2O3 (380.06944180000005)
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
1,4-Diamino-2,3-dicyano-1,4-bis(o-aminophenylmercapto)butadiene
C18H16N6S2 (380.08778159999997)
3,4-diacetoxy-5-(benzoyloxymethyl)-5,6-epoxycyclohexan-1,2-diol
4-(1,3-benzodioxol-5-yl)-1-hydroxy-6,7-dimethoxy-1H-benzo[f]isobenzofuran-3-one
2,3,4-Tri-O-Ac,1-O-benzoyl-alpha-D-Pyranose-Lyxose
Verongamine
C15H17BrN4O3 (380.04839519999996)
A monocarboxylic acid amide that is N-[2-(1H-imidazol-4-yl)ethyl]propanamide substituted by a hydroxyimino group at position 2 and a 3-bromo-4-methoxyphenyl group at position 3. A bromotyrosine derivative isolated from the marine sponge Verongula gigantea, it exhibits histamine-H3 antagonist activity.
3-ethyl 3-methyl 4,4,5,5,6,6-hexahydroxy[1,1-biphenyl]-3,3-dicarboxylate
4-Hydroxy-7,8-(methylenedioxy)-9-(6-hydroxy-1,3-benzodioxole-5-yl)naphtho[2,3-c]furan-1(3H)-one
2-O-Acetylcycloleucomelon|Cycloleucomelon-2-acetat|cycloleucomelon-2-acetate
2-carbomethoxy-1,4-naphthohydroquinone-4-O-beta-D-glucopyranoside|rubinaphthin A methyl ester
3,5-Dihydroxy-4-[2,3-dihydroxy-4-methoxy-6-(ethoxycarbonyl)phenoxy]benzoic acid
(4S,5R)-4-hydroxy-5-(8-{[3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl]oxy}octa-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|4beta-hydroxy-3,4-dihydrovernoniyne-8-O-beta-glucoside
(4S,5R)-5-(8-hydroxyocta-2,4,6-triyn-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}dihydrofuran-2(3H)-one|8-hydroxy-3,4-dihydrovernoniyne-4-O-beta-glucoside
O1-(4-Chlor-biphenyl-4-yl)-beta-D-glucopyranuronsaeure|O1-(4-chloro-biphenyl-4-yl)-beta-D-glucopyranuronic acid
10-(3,4-dimethoxyphenyl)-6-hydroxyfuro[3,4:6,7]naphtho[1,2-d]-1,3-dioxol-9(7h)-one
U-0126
C18H16N6S2 (380.08778159999997)
U0126 is a potent, non-ATP competitive and selective MEK1 and MEK2 inhibitor, with IC50s of 72 nM and 58 nM, respectively. U0126 is an autophagy and mitophagy inhibitor[1][2][3][4].
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4-Methoxybenzyl O-(2-sulfoglucoside)
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
C19H12N2O3S2 (380.02893220000004)
Trisodium phosphate dodecahydrate
H24Na3O16P (380.04950340000005)
1-BOC-5-BROMO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4-PIPERIDINE]
5-[6-(8-Fluoro-2-naphthyl)-2-oxo-1,2-dihydro-3-pyridinyl]-5-isopr opyl-1,3-oxazolidine-2,4-dione
2-(4-((3-AMINO-6-BROMOQUINOLIN-4-YL)AMINO)PHENYL)-2-METHYLPROPANENITRILE
Methyl 4-acetoxy-8-bromo-5-isopropoxy-2-naphthoate
Furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)- one,5-(3,4-dimethoxyphenyl)-9-hydroxy-
(R)-2-(PIPERIDIN-3-YL)ISOINDOLINE-1,3-DIONE (2S,3S)-2,3-DIHYDROXYSUCCINATE
(3-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
C14H17BBrF3O3 (380.0406138000001)
1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)-
C17H20N2O4S2 (380.08644400000003)
(2S,3S)-4-BROMO-CIS-2,3-EPOXYBUTYL (1S)- 10-CAMPHORSULFONATE
C14H21BrO5S (380.02929960000006)
(2R 3R)-4-BROMO-CIS-2 3-EPOXYBUTYL&
C14H21BrO5S (380.02929960000006)
(methylcyclopentadienyl)(1,5-cyclooctadiene)iridium(i)
BIS(ACETONITRILE)(1,5-CYCLOOCTADIENE) RHODIUM(1) TETRAFLUOROBORATE
CHLORO(1,5-CYCLOOCTADIENE)(PENTAMETHYLCYCLOPENTADIENYL)RUTHENIUM
1H-1,4-Diazepine, 1-[(4-chlorophenyl)sulfonyl]-4-(4,6-dimethyl-2-pyrimidinyl)hexahydro- (9CI)
C17H21ClN4O2S (380.10736760000003)
GTS-21
C19H22Cl2N2O2 (380.10582519999997)
GTS-21 dihydrochloride is a selective alpha7 nicotinic acetylcholine receptor (α7-nAChR) agonist with anti?inflammatory and cognition?enhancing activities. GTS-21 dihydrochloride is also a α4β2 (Ki=20 nM for humanα4β2) and 5-HT3A receptor (IC50=3.1 μM) antagonist[1][2].
3-CHLORO-4-[2-(4-CHLOROPHENYL)HYDRAZONO]-2-(4-METHOXYPHENOXY)BUT-2-ENOIC ACID
trisodium phosphate
H24Na3O16P (380.04950340000005)
Nutrient supplement, pH control agent, sequestrant, stabiliser, protein modifier, emulsifier in production of processed cheeses, indirect food additive arising from use as a boiler water additive
BMN 673
C19H14F2N6O (380.11970979999995)
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
2-Methyl-2-propanyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-p iperazinecarboxylate
N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide
1H-Pyrazole-4,5-dione,1-(4-chlorophenyl)-3-methyl-, 4-[2-[3-(trifluoromethyl)phenyl]hydrazone]
Talazoparib
C19H14F2N6O (380.11970979999995)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
CL-387,785
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
2-benzofuran-1,3-dione,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,furan-2,5-dione
3-[ethyl[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile
2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydro-3-pyridinecarboxylic acid
C18H21ClN2O5 (380.11389260000004)
bis(ethyl acetoacetato-O1,O3)[propane-1,3-diolato(2-)-O,O]titanium
4-PHENYL-5-(2-PHENYLQUINOLIN-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
1,1-Diphenyl-4,4-bipyridinium dichloride
C22H18Cl2N2 (380.08469679999996)
2-[2-(bromomethyl)-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H17BBrF3O3 (380.0406138000001)
U0126
C18H16N6S2 (380.08778159999997)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors U0126 is a potent, non-ATP competitive and selective MEK1 and MEK2 inhibitor, with IC50s of 72 nM and 58 nM, respectively. U0126 is an autophagy and mitophagy inhibitor[1][2][3][4].
4-(4-Dimethylaminostyryl)-1-ethylpyridinium iodide
rubinaphthin A methyl ester
A member of the class of naphthols that is naphthalen-1-ol substituted by a beta-D-glucopyranosyloxy residue at position 4 and a methoxycarbonyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.
2-(4-Methoxyphenyl)-2-oxo-1-phenylethyl 2-chlorobenzoate
C22H17ClO4 (380.08153120000003)
N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]butanamide
C16H20N4O5S (380.11543500000005)
5-[2-(2,6-Dioxocyclohexylidene)hydrazinyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
C17H20N2O6S (380.10420200000004)
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
C19H16N4OS2 (380.07654859999997)
3-[2-(4-Chlorophenyl)-2-oxoethoxy]-1-hydroxy-9-xanthenone
C21H13ClO5 (380.04514780000005)
(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-A]pyrimidin-7-amine
Piclamilast
C18H18Cl2N2O3 (380.06944180000005)
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
monophosphothiamine
C12H18ClN4O4PS (380.04748680000006)
D018977 - Micronutrients > D014815 - Vitamins
8-Desmethylnovobiocic acid(1-)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of 8-desmethylnovobiocic acid.
4-Hydroxy-6-methylpretetramide(1-)
C20H14NO7- (380.07702340000003)
A phenolate anion that is the conjugate base of 4-hydroxy-6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
1-[3,4-Dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyridin-1-ium-2,3-dicarboxylic acid
[oxido-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyphosphoryl] hydrogen phosphate
C15H26O7P2-2 (380.11537059999995)
phosphono [(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl] hydrogen phosphate
C15H26O7P2 (380.11537059999995)
Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide
3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
C22H20O4S (380.10822400000006)
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline;iodide
4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside
C13H16O11S (380.04133060000004)
A natural product found in Ferula gumosa.
2-Methylsulfonyl-4,6-diphenyl-3-thieno[2,3-b]pyridinamine
C20H16N2O2S2 (380.06531559999996)
2-[4-(Difluoromethylthio)anilino]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester
3-[2-(3-Carboxy-acryloylamino)-biphenyl-2-ylcarbamoyl]-acrylic acid
1-(1-Naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea
4-[[7-Methoxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid
N-(4-bromophenyl)-5-tert-butyl-2-methyl-4-nitro-3-pyrazolecarboxamide
C15H17BrN4O3 (380.04839519999996)
4-[3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester
C16H20N4O5S (380.11543500000005)
2-[[(2-Chlorophenyl)-oxomethyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
4-[(2-Cyano-1-oxoethyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester
2-[2-methoxy-4-[(E)-2-(8-nitroquinolin-2-yl)ethenyl]phenoxy]acetic acid
3-(Benzyloxy)-4-(trimethylsilyl)pyridin-2-yl dimethylsulfamate
sodium 3-aminopropyl 2-acetamido-2-deoxy-alpha-D-glucose-1-phosphate
5,8-Dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-3,7-dimethoxychromen-4-one
methicillin
C17H20N2O6S (380.10420200000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic A penicillin compound having a (6R)-2,6-dimethoxybenzamido substituent.
Nogalonate(2-)
An oxo monocarboxylic acid anion obtained by deprotonation of the carboxy as well as the 5-hydroxy group of nogalonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
IMB-808
IMB-808 is a potent LXRα/β dual agonist with EC50 values of 0.53 μM and 0.15 μM (0.15 μM, using GAL4-pGL4-luc reporter plasmid) for LXRβ and LXRα, respectively. IMB-808 promotes expression of genes related to reverse cholesterol transport (ABCA1 and ABCG1). IMB-808 can be used as a promising agent for the prospective treatment of atherosclerosis research[1].
(2s)-3-[(2r,3s,4as)-2,3,7-trihydroxy-9-methoxy-4a-methyl-6-oxo-3h,4h-benzo[c]chromen-2-yl]-2-hydroxypropanoic acid
3-[2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
4-[6-(ethoxycarbonyl)-2,3-dihydroxy-4-methoxyphenoxy]-3,5-dihydroxybenzoic acid
4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-h]chromen-8-one
6-hydroxy-20-methoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione
9-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
(3s,9e)-13-chloro-14-hydroxy-16-methoxy-3-methyl-3,4,5,7,8,12-hexahydro-2-benzoxacyclotetradecine-1,6,11-trione
C19H21ClO6 (380.10265960000004)
16-(3,4-dimethoxyphenyl)-10-hydroxy-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one
4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-h]chromen-8-one
(3s,6s)-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)-6h-pyrazine-2,5-diol
C18H24N2O3S2 (380.12282739999995)
4,6,9,12,14-pentahydroxy-10-(4-hydroxyphenyl)tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
4-hydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
8-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
5-o-β-d-glucopyranosyl-6-hydroxyangelicin
{"Ingredient_id": "HBIN011837","Ingredient_name": "5-o-\u03b2-d-glucopyranosyl-6-hydroxyangelicin","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8663","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-o-β-d-glucopyranosyl-8-hydroxypsoralen
{"Ingredient_id": "HBIN011838","Ingredient_name": "5-o-\u03b2-d-glucopyranosyl-8-hydroxypsoralen","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C3C=COC3=C2O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8676","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-β-d-glucopyranosyl-5-hydroxyangelicin
{"Ingredient_id": "HBIN012641","Ingredient_name": "6-o-\u03b2-d-glucopyranosyl-5-hydroxyangelicin","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8664","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-β-d-glucopyranosyl-5-hydroxypsoralen
{"Ingredient_id": "HBIN013847","Ingredient_name": "8-o-\u03b2-d-glucopyranosyl-5-hydroxypsoralen","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C3C=COC3=C2OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8677","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
10-(3,4-dimethoxyphenyl)-16-hydroxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one
(1s,11r,20r)-6-hydroxy-20-methoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione
[(2r,3s,4r,5s)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
C10H13ClN6O6S (380.03057880000006)
4-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acid
{5-hydroxy-10-methoxy-4-oxo-2-propylbenzo[h]chromen-8-yl}oxidanesulfonic acid
7,13-dihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,16(23),17,19-hexaene-5,15-dione
5,7,13,17,19-pentahydroxy-12-oxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-1,3,5,7,10,15,17,19-octaene-9,21-dione
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one
12,13-dihydroxy-10,11-dimethoxy-5-(2-phenylethenyl)-6,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),4,10,12-pentaen-3-one
(9r,10s)-4,6,9,12,14-pentahydroxy-10-(4-hydroxyphenyl)tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
13-chloro-14-hydroxy-16-methoxy-3-methyl-3,4,5,7,8,12-hexahydro-2-benzoxacyclotetradecine-1,6,11-trione
C19H21ClO6 (380.10265960000004)
5-(1,2-dihydroxyethyl)-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
11-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-12-methoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid
(3r,9e)-13-chloro-14-hydroxy-16-methoxy-3-methyl-3,4,5,7,8,12-hexahydro-2-benzoxacyclotetradecine-1,6,11-trione
C19H21ClO6 (380.10265960000004)
3-chloro-6-(2,4-dihydroxy-6-propylphenoxy)-4-hydroxy-2-propylbenzoic acid
C19H21ClO6 (380.10265960000004)
10-(4-hydroxy-3-methoxyphenyl)-16-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one
[(2r,3s,4r,5r)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
C10H13ClN6O6S (380.03057880000006)
[(2r,3s,4s,5s)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
C10H13ClN6O6S (380.03057880000006)
{3,4,5-trihydroxy-6-[(5-methyl-2-oxochromen-4-yl)oxy]oxan-2-yl}methyl acetate
4-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acid
4-(2h-1,3-benzodioxol-5-yl)-9-hydroxy-6,7-dimethoxy-2h-naphtho[2,3-b]furan-3-one
(2r,3e)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-5-phosphonopent-3-enoic acid
(3s,6r)-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)-6h-pyrazine-2,5-diol
C18H24N2O3S2 (380.12282739999995)
3-ethyl 3'-methyl 4,4',5,5',6,6'-hexahydroxy-[1,1'-biphenyl]-3,3'-dicarboxylate
(1s,2r,4s,5r,10s,11s,13r,14r,15r,18r)-5-[(1r)-1,2-dihydroxyethyl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(2s,5r,6r)-6-{[(2,6-dimethoxyphenyl)(hydroxy)methylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C17H20N2O6S (380.10420200000004)
(2r)-3-(3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carbonylsulfanyl)-2-[(1-hydroxyethylidene)amino]propanoic acid
9-(2h-1,3-benzodioxol-5-yl)-7-hydroxy-4,6-dimethoxy-3h-naphtho[2,3-c]furan-1-one
5-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-h]chromen-8-one
9-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)-6h-pyrazine-2,5-diol
C18H24N2O3S2 (380.12282739999995)
9-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
3-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
(3s,9z)-13-chloro-14-hydroxy-16-methoxy-3-methyl-3,4,5,7,8,12-hexahydro-2-benzoxacyclotetradecine-1,6,11-trione
C19H21ClO6 (380.10265960000004)
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-methyl-2-oxochromen-4-yl)oxy]oxan-2-yl]methyl acetate
6,7-dihydroxy-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2(10),4(9),5,7,14,18,20-octaen-11-one
(9r,10r)-4,6,9,12,14-pentahydroxy-10-(4-hydroxyphenyl)tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
9-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
(2e)-3-(3-bromo-4-methoxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid
C15H17BrN4O3 (380.04839519999996)