Exact Mass: 616.2155806000001

Heme

C34H32FeN4O4 (616.1772821999999)

Heme is the color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins. A heme or haem is a prosthetic group that consists of an iron atom contained in the center of a large heterocyclic organic ring called a porphyrin. Not all porphyrins contain iron, but a substantial fraction of porphyrin-containing metalloproteins have heme as their prosthetic subunit; these are known as hemoproteins. Protoheme ix, also known as ferroprotoheme or [fe(ppix)], is a member of the class of compounds known as metalloporphyrins. Metalloporphyrins are polycyclic compounds containing a porphyrin moiety and a metal atom. Protoheme ix can be found in a number of food items such as orange mint, cucumber, deerberry, and pear, which makes protoheme ix a potential biomarker for the consumption of these food products. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2]. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2].

3-Vinylbacteriochlorophyllide a

C35H36MgN4O5 (616.2536066)

trans-delta-Viniferin 3'-glucoside

C34H32O11 (616.1944522)

trans-delta-Viniferin 3-glucoside is found in alcoholic beverages. trans-delta-Viniferin 3-glucoside is a constituent of the cell cultures of Vitis vinifera (wine grape) Constituent of the cell cultures of Vitis vinifera (wine grape). trans-delta-Viniferin 3-glucoside is found in alcoholic beverages and fruits.

trans-delta-Viniferin 3'-glucoside

C34H32O11 (616.1944522)

trans-delta-Viniferin 3-glucoside is found in alcoholic beverages. trans-delta-Viniferin 3-glucoside is a constituent of the cell cultures of Vitis vinifera (wine grape) Constituent of the cell cultures of Vitis vinifera (wine grape). trans-delta-Viniferin 3-glucoside is found in alcoholic beverages and fruits.

Pallidol 3-glucoside

C34H32O11 (616.1944522)

Pallidol 3-glucoside is found in alcoholic beverages. Pallidol 3-glucoside is isolated from Riesling wine. Isolated from Riesling wine. Pallidol 3-glucoside is found in alcoholic beverages.

Dimoracin

C38H32O8 (616.2097072)

Dimoracin is found in fruits. Phytoalexin from Morus alba (white mulberry) infected with Fusarium solan

Candesartan N2-glucuronide

C30H28N6O9 (616.1917678)

Candesartan N2-glucuronide is a metabolite of Candesartan. Candesartan n2-glucuronide belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.

Candesartan O-glucuronide

C30H28N6O9 (616.1917678)

Candesartan O-glucuronide is a metabolite of candesartan. Candesartan is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. The prodrug candesartan cilexetil is marketed by AstraZeneca and Takeda Pharmaceuticals, commonly under the trade names Blopress, Atacand, Amias, and Ratacand. (Wikipedia)

Casopitant

C30H35F7N4O2 (616.2648094)

2-((2-Methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl 4-(2-(2-(9H-fluoren-9-yl)acetamido)ethyl)benzoate

C36H35F3N2O4 (616.2548786)

5,10,15,20-Tetraphenyl-21,22,23,24-tetrahydroporphyrin

C44H32N4 (616.2626832)

Chlorophyllide a

C35H36MgN4O5+2 (616.2536066)

7,7-bis(dehydro-O-methylisopiline)

C38H36N2O6 (616.2573236000001)

7-Acetyl-11beta-acetoxydihydronomilin

C32H40O12 (616.251964)

Upunoside D

C34H32O11 (616.1944522)

CHEMBL434383

C38H36N2O6 (616.2573236000001)

Senburiside II

C30H32O14 (616.1791972)

Doliculide

C27H41IN2O6 (616.2009236000001)

RP-66453

C33H36N4O8 (616.2533016)

Upunoside C

C34H32O11 (616.1944522)

kosinostatin

C33H32N2O10 (616.2056852)

19396-03-3

C23H32N6O14 (616.1976411999999)

13-O-p-Coumaroylplumieride

C30H32O14 (616.1791972)

131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester

C35H36MgN4O5+2 (616.2536066)

Bacteriochlorophyllide g

C35H36MgN4O5+2 (616.2536066)

loasafolioside

C28H40O15 (616.236709)

3,3-Dimethoxyurabaine

C38H36N2O6 (616.2573236000001)

dihydrocatalpol hexaacetate|Hexaacetyl-dihydrocatalpol

C27H36O16 (616.2003256)

1,4,5-trihydroxy-7-methylnaphthalene-4-O-beta-xylopyranosyl-(1->4)-beta-xylopyranosyl-(1->6)-beta-glucopyranoside|diospyroside A

C27H36O16 (616.2003256)

1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha-(2)-methylbutyroyloxy-4beta-hydroxy-dihydro-beta-agarofuran

C32H40O12 (616.251964)

gnemonoside C

C34H32O11 (616.1944522)

vaalens-3

C32H40O12 (616.251964)

SENDANIN

C32H40O12 (616.251964)

daphnine

C37H32N2O7 (616.2209402)

dennstoside B

C32H40O12 (616.251964)

hainangranatumin E

C32H40O12 (616.251964)

(-)-epsilon-viniferin-12b-C-glucopyranoside|diptoindonesin

C34H32O11 (616.1944522)

C34H32O11

C34H32O11 (616.1944522)

(-)-ampelopsin F-11b-O-beta-glucopyranoside|cordifoloside A

C34H32O11 (616.1944522)

7-acetyl-11beta-acetoxy-1-epidihydronomilin|toonin A

C32H40O12 (616.251964)

C30H48O6Si4

C30H48O6Si4 (616.2527828)

7-<6-O-(alpha-L-rhamnopyranosyl)-2-O-(p-coumaroyl)-beta-D-glucopyranosyloxy>coumarin|7-[6-O-(alpha-L-rhamnopyranosyl)-2-O-(p-coumaroyl)-beta-D-glucopyranosyloxy]coumarin

C30H32O14 (616.1791972)

gnemonoside D

C34H32O11 (616.1944522)

Hexaacetyl-harpagid

C27H36O16 (616.2003256)

(2Z)-2-methylbut-2-enoic acid (2R,5R,7R,8S,14aS)-5-(benzoyloxy)-5,6,7,8-tetrahydro-2,3-dimethoxy-7-methyl-1-oxospiro[1H,14H-benzo[1,8]cycloocta[1,2,3-cd][1,3]dioxolo[4,5-g]benzofuran-6,2-oxiran]-8-yl ester|Heteroclitin O

C34H32O11 (616.1944522)

javanicin D

C32H40O12 (616.251964)

fragilide E

C28H37ClO13 (616.1922582)

Tyledoside C

C32H40O12 (616.251964)

nui-inoalide B

C28H37ClO13 (616.1922582)

C30H32O14_Spiro[cyclopenta[c]pyran-7(1H),2(5H)-furan]-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-4a,7a-dihydro-4-[(1S)-1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-5-oxo-, methyl ester, (1S,4aS,7R,7aS)

C30H32O14 (616.1791972)

methyl (1S,4aS,7aS)-4-[(1S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2-furan]-4-carboxylate

C30H32O14 (616.1791972)

Glu Pro Trp Trp

C32H36N6O7 (616.2645345999999)

Glu Trp Pro Trp

C32H36N6O7 (616.2645345999999)

Glu Trp Trp Pro

C32H36N6O7 (616.2645345999999)

Pro Glu Trp Trp

C32H36N6O7 (616.2645345999999)

Pro Trp Glu Trp

C32H36N6O7 (616.2645345999999)

Pro Trp Trp Glu

C32H36N6O7 (616.2645345999999)

Trp Glu Pro Trp

C32H36N6O7 (616.2645345999999)

Trp Glu Trp Pro

C32H36N6O7 (616.2645345999999)

Trp Pro Glu Trp

C32H36N6O7 (616.2645345999999)

Trp Pro Trp Glu

C32H36N6O7 (616.2645345999999)

Trp Trp Glu Pro

C32H36N6O7 (616.2645345999999)

Trp Trp Pro Glu

C32H36N6O7 (616.2645345999999)

Candesartan N2-Glucuronide

C30H28N6O9 (616.1917678)

Dimoracin

C38H32O8 (616.2097072)

trans-delta-Viniferin 3''-glucoside

C34H32O11 (616.1944522)

trans-delta-Viniferin 3'''-glucoside

C34H32O11 (616.1944522)

Pallidol 3-glucoside

C34H32O11 (616.1944522)

polyoxin a

C23H32N6O14 (616.1976411999999)

1-(PERFLUORO-N-OCTYL)TETRADECANE

C22H29F17 (616.1997678)

5,10-di(4-pyridyl)-15,20-diphenylporphyrin

C42H28N6 (616.2375328)

2-[(1E,3Z)-3-CHLORO-5-(1,1,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[E]INDOL-2-YLIDENE)-1,3-PENTADIENYL]-1,1,3-TRIMETHYL-1H-BENZO[E]INDOLIUM PERCHLORATE

C35H34Cl2N2O4 (616.1895504)

2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]inden-1-ylidene]ethylidene]-1,3,3-trimethylindole,perchlorate

C35H34Cl2N2O4 (616.1895504)

4,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)biphenyl

C42H28N6 (616.2375328)

5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin

C44H32N4 (616.2626832)

Erio Green B

C31H33N2NaO6S2 (616.1677638000001)

Casopitant

C30H35F7N4O2 (616.2648094)

A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents

(2S,3S,4S,5R,6S)-6-[2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C30H28N6O9 (616.1917678)

3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron(6+)

C34H32FeN4O4+2 (616.1772821999999)

(31R)-8,12-diethyl-71-hydroxybacteriochlorophyllide c

C35H36MgN4O5-2 (616.2536066)

[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

C23H33N6O12P (616.1893987999999)

Ferroprotoporphyrin IX

C34H32FeN4O4-2 (616.1772821999999)

5,10,15,20-Tetraphenyl-22,24-dihydro-21H,23H-porphyrin

C44H32N4 (616.2626832)

Hematin

C34H32FeN4O4 (616.1772821999999)

Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2]. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2].

Ferriheme

C34H32FeN4O4+ (616.1772821999999)

2-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

C30H33FN2O7S2 (616.1713120000001)

2-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

C30H33FN2O7S2 (616.1713120000001)

2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

C30H33FN2O7S2 (616.1713120000001)

2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

C30H33FN2O7S2 (616.1713120000001)

2-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

C30H33FN2O7S2 (616.1713120000001)

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C30H35F3N6O5 (616.2620896)

N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C30H35F3N6O5 (616.2620896)

N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C30H35F3N6O5 (616.2620896)

2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

C30H33FN2O7S2 (616.1713120000001)

2-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

C30H33FN2O7S2 (616.1713120000001)

2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

C30H33FN2O7S2 (616.1713120000001)

beta-D-Glucopyranuronic acid, 1-[5-[4-[(7-carboxy-2-ethoxy-1H-benzimidazol-1-yl)methyl][1,1-biphenyl]-2-yl]-2H-tetrazol-2-yl]-1-deoxy-

C30H28N6O9 (616.1917678)

trans-delta-Viniferin 3-glucoside

C34H32O11 (616.1944522)

Heme b

C34H32FeN4O4 (616.1772821999999)

A metalloprotoporphyrin in which the four pyrrole nitrogens of the protoporphyrin moiety are coordinated to iron. It is the most abundant of the heme compounds.

ferroheme b

C34H32FeN4O4 (616.1772821999999)

Heme b in which the iron has oxidation state +2.

SQDG 20:5

C29H44O12S (616.2553344)

ST 26:7;O6;GlcA

C32H40O12 (616.251964)

(R)-Casopitant

C30H35F7N4O2 (616.2648094)

(R)-Casopitant ((R)-GW679769) is the isomer of Casopitant (HY-14405). Casopitant is a NK(1)-receptor antagonist. Casopitant can be used for the research of chemotherapy-induced nausea and vomiting[1][2].

(1s,2r,4s,7s,8s,10s,11r,12r,13s,18r,20r)-13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate

C32H40O12 (616.251964)

1,3-ditrimethylsilyl 2,4-bis({4-[(trimethylsilyl)oxy]phenyl})cyclobutane-1,3-dicarboxylate

C30H48O6Si4 (616.2527828)

2-(4-{2-[3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]ethenyl}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

methyl 5-ethenyl-4-(2-{[3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H40O15 (616.236709)

13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate

C32H40O12 (616.251964)

2-(3-{2-[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl}-5-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

methyl 4-(2-{[(4r,4as,6s,7r,7as)-3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H40O15 (616.236709)

2-{4-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

2-(hydroxymethyl)-6-{[4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol

C34H32O11 (616.1944522)

(1r,4as,6r,7r,7as)-6-[3-(3-hydroxybenzoyloxy)benzoyloxy]-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C30H32O14 (616.1791972)

methyl (1s,4as,7r,7as)-4'-[(1s)-1-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl]-5'-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

C30H32O14 (616.1791972)

(1s,16r,17r,19r)-16-{[(2s)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'h-18-oxaspiro[pentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2,4(13),6,8,10,14-hexaene-5,12-dione

C33H32N2O10 (616.2056852)

(1s,2s,3s,5r,6r,9r,10r,12s,14r,16r,18s,20r,22s,23s,25r)-3,9,23-trihydroxy-1,5,20-trimethyl-4-oxo-6-(6-oxopyran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-22-yl acetate

C32H40O12 (616.251964)

(2s,3z)-1-[(2s)-2-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}-2-[(3s,4r,5r)-3,4-dihydroxy-5-[4-hydroxy-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid

C23H32N6O14 (616.1976411999999)

(1s,2s,4s,7r,9r,11s,13r,14s,15r,16s,17r)-4,15-bis(acetyloxy)-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate

C32H40O12 (616.251964)

7-epi-19-hydroxybaccatin b5677iii

C32H40O12 (616.251964)

{"Ingredient_id": "HBIN013168","Ingredient_name": "7-epi-19-hydroxybaccatin b5677iii","Alias": "NA","Ingredient_formula": "C32H40O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

anticancerstilbenoid pmv70p691-041

C34H32O11 (616.1944522)

{"Ingredient_id": "HBIN016361","Ingredient_name": "anticancerstilbenoid pmv70p691-041","Alias": "NA","Ingredient_formula": "C34H32O11","Ingredient_Smile": "C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1445","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(2s,3r,4s,5s,6r)-2-{3-[(1e)-2-[(2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

(16r,17r,19s)-16-{[(2s,4r,5s,6s)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'h-18-oxaspiro[pentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2,4(13),6,8,10,14-hexaene-5,12-dione

C33H32N2O10 (616.2056852)

(1s,2r,4s,7s,8s,10r,11r,12r,13s,18r,20r)-13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate

C32H40O12 (616.251964)

methyl (1s,4as,7r,7as)-4'-(1-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl)-5'-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

C30H32O14 (616.1791972)

(1s,16r,17r,19s)-16-{[(2s,4r,5s,6s)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'h-18-oxaspiro[pentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2,4(13),6,8,10,14-hexaene-5,12-dione

C33H32N2O10 (616.2056852)

4,5-dihydroxy-2-[(2-oxochromen-7-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

C30H32O14 (616.1791972)

2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

(1s,16r,17r,19r)-16-{[(2s,4r,5s,6s)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'h-18-oxaspiro[pentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2,4(13),6,8,10,14-hexaene-5,12-dione

C33H32N2O10 (616.2056852)

(2s,3r,4s,5s,6r)-2-{4-[(2s,3s)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

(1s,2s,4s,5r,6r,7s,9r,12r)-5-(acetyloxy)-12-(furan-2-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-4-{[(2r)-2-methylbutanoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-2-carboxylate

C32H40O12 (616.251964)

(2s,3r,4s,5s,6r)-2-{3-[(2s,3s)-5-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(8r,9r,16r)-4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol

C34H32O11 (616.1944522)

4,12-bis(acetyloxy)-5-{[2-(acetyloxy)acetyl]oxy}-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl 3-phenylprop-2-enoate

C32H40O12 (616.251964)

[5-hydroxy-1-(5-hydroxy-2-oxo-5h-furan-3-yl)-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl][4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl 2-methylbutanoate

C32H40O12 (616.251964)

6-[3-(3-hydroxybenzoyloxy)benzoyloxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C30H32O14 (616.1791972)

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1r,8r,9r,16r)-4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol

C34H32O11 (616.1944522)

methyl 4'-(1-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl)-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

C30H32O14 (616.1791972)

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1r,8r,9s,16r)-4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol

C34H32O11 (616.1944522)

10-{9-hydroxy-8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-10-yl}-8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-9-ol

C38H36N2O6 (616.2573236000001)

[(1s,2s,4s,5s,6r,10s)-5-(acetyloxy)-10-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-2-yl]methyl acetate

C27H36O16 (616.2003256)

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

C30H32O14 (616.1791972)

(1s,4as,6s,7r,7as)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (2s,3s,4r,6s)-2-hydroxy-6-methoxy-4-[(2e)-1-oxobut-2-en-2-yl]oxane-3-carboxylate

C28H40O15 (616.236709)

(r)-[(1r,5r,8ar)-5-hydroxy-1-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl][(4r,5r)-4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl (2r)-2-methylbutanoate

C32H40O12 (616.251964)

4,15-bis(acetyloxy)-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate

C32H40O12 (616.251964)

(3r,9s,11s,13r,14s,16s)-8,14-dihydroxy-3-[(4-hydroxy-3-iodophenyl)methyl]-16-isopropyl-4,9,11,13-tetramethyl-1-oxa-4,7-diazacyclohexadec-7-ene-2,5-dione

C27H41IN2O6 (616.2009236000001)

(2s,3r,4s,5s,6r)-2-{[(2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(1z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-[(4,8-dihydroxy-6-methylnaphthalen-1-yl)oxy]oxane-3,4,5-triol

C27H36O16 (616.2003256)

[5-(acetyloxy)-10-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-2-yl]methyl acetate

C27H36O16 (616.2003256)

(2s,3r,4s,5s,6r)-2-{[(2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

(2s,3r,4s,5s,6r)-2-{[(2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

2-{[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

methyl (4s,5r,6s)-4-(2-{[(3r,4r,4as,6r,7r,7as)-3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H40O15 (616.236709)

(14s,17s,20r,23r)-14-amino-17-[(2s)-butan-2-yl]-9,15,18,21,32-pentahydroxy-2-oxa-16,19,22-triazapentacyclo[23.2.2.1³,⁷.1⁵,²⁰.1⁸,¹²]dotriaconta-1(27),3(32),4,6,8(31),9,11,15,18,21,25,28-dodecaene-23-carboxylic acid

C33H36N4O8 (616.2533016)

(1s,10r,11s,13s,14s)-6-[(5s,6s,8s,8ar,10as)-1,5,8,8a-tetrahydroxy-10a-(hydroxymethyl)-6-methyl-9-oxo-5,6,7,8-tetrahydroxanthen-2-yl]-7,10,11,14-tetrahydroxy-13-methyl-2,16-dioxatetracyclo[9.3.2.0¹,¹⁰.0³,⁸]hexadeca-3,5,7-trien-9-one

C30H32O14 (616.1791972)

14,15,16-trimethoxy-8-{14,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene

C38H36N2O6 (616.2573236000001)

5-(acetyloxy)-12-(furan-2-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-4-[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-2-carboxylate

C32H40O12 (616.251964)

[(1r,2s,3s,5s,6r,8s)-6-hydroxy-8-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-{[(4-hydroxy-3-methoxyphenyl)methoxy]methyl}oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl benzoate

C31H36O13 (616.2155806000001)

3,9,23-trihydroxy-1,5,20-trimethyl-4-oxo-6-(6-oxopyran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-22-yl acetate

C32H40O12 (616.251964)

(25e)-32,39-dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-9,27-diazaoctacyclo[24.6.2.2³,⁶.2²¹,²⁴.1¹²,¹⁹.0⁵,¹⁰.0¹⁴,¹⁸.0³⁰,³⁴]nonatriaconta-1(33),3(39),5(10),6(38),12,14(18),19(37),21,23,25,28,30(34),31,35-tetradecaen-4-one

C37H32N2O7 (616.2209402)

2-(3-{5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}-5-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

14-amino-9,15,18,21,32-pentahydroxy-17-(sec-butyl)-2-oxa-16,19,22-triazapentacyclo[23.2.2.1³,⁷.1⁵,²⁰.1⁸,¹²]dotriaconta-1(27),3(32),4,6,8(31),9,11,15,18,21,25,28-dodecaene-23-carboxylic acid

C33H36N4O8 (616.2533016)

(2r,3s,4s,5r,6s)-2-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)

1,3-ditrimethylsilyl (1r,2r,3s,4s)-2,4-bis({4-[(trimethylsilyl)oxy]phenyl})cyclobutane-1,3-dicarboxylate

C30H48O6Si4 (616.2527828)

[(1r,2s,3r,5r,6r,8s)-6-hydroxy-8-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl 4-hydroxybenzoate

C30H32O14 (616.1791972)

(1s,2s,4s,5r,6r,7s,9r,12r)-4,12-bis(acetyloxy)-5-{[2-(acetyloxy)acetyl]oxy}-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate

C32H40O12 (616.251964)

(2r,3s,4s,5r,6s)-2-({[(2s,3r,4r,5r)-3,4-dihydroxy-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-6-[(4,8-dihydroxy-6-methylnaphthalen-1-yl)oxy]oxane-3,4,5-triol

C27H36O16 (616.2003256)

16-[(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'h-18-oxaspiro[pentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2,4(13),6,8,10,14-hexaene-5,12-dione

C33H32N2O10 (616.2056852)

(1s,2s,3s,5r,6r,9r,10r,12s,14r,16r,18s,19s,21r,23s,25r)-3,9,18-trihydroxy-1,5,21-trimethyl-4-oxo-6-(6-oxopyran-3-yl)-11,17,22,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-19-yl acetate

C32H40O12 (616.251964)

32,39-dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-9,27-diazaoctacyclo[24.6.2.2³,⁶.2²¹,²⁴.1¹²,¹⁹.0⁵,¹⁰.0¹⁴,¹⁸.0³⁰,³⁴]nonatriaconta-1(33),3(39),5(10),6(38),12,14(18),19(37),21,23,25,28,30(34),31,35-tetradecaen-4-one

C37H32N2O7 (616.2209402)

6-[1,5,8,8a-tetrahydroxy-10a-(hydroxymethyl)-6-methyl-9-oxo-5,6,7,8-tetrahydroxanthen-2-yl]-7,10,11,14-tetrahydroxy-13-methyl-2,16-dioxatetracyclo[9.3.2.0¹,¹⁰.0³,⁸]hexadeca-3,5,7-trien-9-one

C30H32O14 (616.1791972)

(2s,3z)-1-[(2s)-2-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}-2-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-hydroxy-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid

C23H32N6O14 (616.1976411999999)

(2s,3r,4s,5s,6r)-2-{4-[(1e)-2-[(2s,3s)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C34H32O11 (616.1944522)