Exact Mass: 412.1823066

Exact Mass Matches: 412.1823066

Found 209 metabolites which its exact mass value is equals to given mass value 412.1823066, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Bisindolylmaleimide i

3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

C25H24N4O2 (412.18991639999996)


   

GF 109203X

bisindolylmaleimide i

C25H24N4O2 (412.18991639999996)


D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

17-Hydroxypregnenolone sulfate

[(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxidanesulfonic acid

C21H32O6S (412.1919492)


17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids (Wikipedia). 17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

Cinalukast

3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid

C23H28N2O3S (412.18205380000006)


Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent

   

17-Hydroxypregnenolone 3-sulfate

{14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl}oxidanesulfonic acid

C21H32O6S (412.1919492)


   

Brucein E

2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one

C20H28O9 (412.17332380000005)


   

3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one

5-[2-(Dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid

C23H28N2O3S (412.18205380000006)


   

12-Acetoxycalanolide A

12-Acetoxycalanolide A

C24H28O6 (412.1885788)


   
   

Trachyspic acid

(+)-Trachyspic acid

C20H28O9 (412.17332380000005)


An oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase.

   
   
   
   

NIGROLINEAXANTHONE O

NIGROLINEAXANTHONE O

C24H28O6 (412.1885788)


   

Penicitrinol B

Penicitrinol B

C24H28O6 (412.1885788)


A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   

(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol

(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol

C24H28O6 (412.1885788)


   
   
   

(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol

(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol

C24H28O6 (412.1885788)


   
   

(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol

(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol

C24H28O6 (412.1885788)


   

12-Acetoxycalanolide B

12-Acetoxycalanolide B

C24H28O6 (412.1885788)


   

Bm 567

2-(cyclohexylamino)-5-nitro-N-[(pentylamino)carbonyl]-benzenesulfonamide

C18H28N4O5S (412.17803180000004)


   

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C20H28O9 (412.17332380000005)


   
   
   
   

(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol

(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol

C20H28O9 (412.17332380000005)


   
   
   
   

1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide

1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide

C24H28O6 (412.1885788)


   

(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside

(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside

C19H28N2O8 (412.1845568)


   

1beta-p-coumaroyloxyvaldiviolide

1beta-p-coumaroyloxyvaldiviolide

C24H28O6 (412.1885788)


   

6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin

6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin

C24H28O6 (412.1885788)


   

14beta-hydroxypregn-5-enolone-3-O-sulfate

14beta-hydroxypregn-5-enolone-3-O-sulfate

C21H32O6S (412.1919492)


   

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

C24H28O6 (412.1885788)


   

Diaethylfuroguaiaoxidin|diethylfuroguaiaoxidin

Diaethylfuroguaiaoxidin|diethylfuroguaiaoxidin

C24H28O6 (412.1885788)


   
   

5alpha,14beta,15beta-trihydroxyklaineanone

5alpha,14beta,15beta-trihydroxyklaineanone

C20H28O9 (412.17332380000005)


   

3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one

3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one

C24H28O6 (412.1885788)


   

3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone

3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone

C24H28O6 (412.1885788)


   
   

(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D

(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D

C24H28O6 (412.1885788)


   
   
   

3-O-sulfoisoasterone tyramonium salt

3-O-sulfoisoasterone tyramonium salt

C21H32O6S (412.1919492)


   

6alpha,14,15beta-trihydroxyklaineanone

6alpha,14,15beta-trihydroxyklaineanone

C20H28O9 (412.17332380000005)


   

O-De-Me-Cyanonaphthyridinomycin

O-De-Me-Cyanonaphthyridinomycin

C21H24N4O5 (412.1746614)


   

1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial

1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial

C24H28O6 (412.1885788)


   

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

C24H28O6 (412.1885788)


   
   
   
   
   

Brucein E

5H-3,11c-beta-(Epoxymethano)phenanthro(10,1-bc)pyran-5-one, 1,2,3,3a,4,6a-beta,7,7a-alpha,10,11,11a,11b-alpha-dodecahydro-1-beta,2-alpha,3a-beta,4-beta,10-alpha,11-beta-hexahydroxy-3-alpha,8,11a-beta-trimethyl-, (+)-

C20H28O9 (412.17332380000005)


Brucein E is a natural product found in Brucea javanica with data available.

   
   

C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)

NCGC00169902-02_C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)-

C20H28O9 (412.17332380000005)


   

[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate

[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate

C20H28O9 (412.17332380000005)


   

9-OH-Risperidone

9-OH-Risperidone

C22H25FN4O3 (412.1910591999999)


CONFIDENCE standard compound; INTERNAL_ID 1568

   
   

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major

C20H28O9 (412.17332380000005)


   

[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major

[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major

C20H28O9 (412.17332380000005)


   

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_45.6\\%

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_45.6\\%

C20H28O9 (412.17332380000005)


   

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_67.4\\%

4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_67.4\\%

C20H28O9 (412.17332380000005)


   

Cys Pro Pro Pro

(2S)-1-{[(2S)-1-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

C18H28N4O5S (412.17803180000004)


   
   

Pro Cys Pro Pro

(2S)-1-{[(2S)-1-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

C18H28N4O5S (412.17803180000004)


   

Pro Pro Cys Pro

(2S)-1-[(2R)-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C18H28N4O5S (412.17803180000004)


   

Pro Pro Pro Cys

(2R)-2-{[(2S)-1-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C18H28N4O5S (412.17803180000004)


   
   
   

17α,20β-Hydroxyprogesterone sulfate

17α,20β-Hydroxyprogesterone sulfate

C21H32O6S (412.1919492)


   

3-β-hydroxy-20-oxopregn-5-en-17-α-yl sulfate

3-β-hydroxy-20-oxopregn-5-en-17-α-yl sulfate

C21H32O6S (412.1919492)


   

17-Hydroxypregnenolone sulfate

17-Hydroxypregnenolone sulfate

C21H32O6S (412.1919492)


   

Cinalukast

3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid

C23H28N2O3S (412.18205380000006)


C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent

   

4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate

4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate

C20H28O9 (412.17332380000005)


   

2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione

2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione

C20H28O9 (412.17332380000005)


   

4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate

4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate

C20H28O9 (412.17332380000005)


   

ST 21:2;O3;S

17-Hydroxypregnenolone sulfate

C21H32O6S (412.1919492)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

C26H24N2O3 (412.17868339999995)


   

Promethazine hcl

Remifentanil hydrochloride

C20H29ClN2O5 (412.17648940000004)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics

   
   

BIX02188

BIX02188

C25H24N4O2 (412.18991639999996)


BIX02188 is a potent MEK5-selective inhibitor with an IC50 of 4.3 nM. BIX02188 inhibits ERK5 catalytic activity, with an IC50 of 810 nM.

   

1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone

1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone

C24H28O6 (412.1885788)


   

6,7-Dihydroxybergamottin acetonide

6,7-Dihydroxybergamottin acetonide

C24H28O6 (412.1885788)


   
   

4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol

4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol

C25H24N4O2 (412.18991639999996)


   

6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one

6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one

C26H24N2O3 (412.17868339999995)


   

21-Hydroxypregnenolone, 21-sulfate

21-Hydroxypregnenolone, 21-sulfate

C21H32O6S (412.1919492)


   

5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile

5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile

C21H22F2N6O (412.1823066)


   

Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-

Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-

C18H28N4O5S (412.17803180000004)


   

4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate

4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate

C20H28O9 (412.17332380000005)


   
   

Brucein E

2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one

C20H28O9 (412.17332380000005)


   

Ultiva

Ultiva

C20H29ClN2O5 (412.17648940000004)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

   

17-Hydroxypregnenolone 3-sulfate

17-Hydroxypregnenolone 3-sulfate

C21H32O6S (412.1919492)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine

1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine

C24H29ClN2O2 (412.1917444)


   

N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide

N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide

C23H28N2O3S (412.18205380000006)


   

4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone

4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone

C25H24N4O2 (412.18991639999996)


   

[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol

[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol

C24H29ClN2O2 (412.1917444)


   

2-(1,3-Benzoxazol-2-ylamino)-7-phenyl-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

2-(1,3-Benzoxazol-2-ylamino)-7-phenyl-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

C25H24N4O2 (412.18991639999996)


   

2-[(5-Phenyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

2-[(5-Phenyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

C25H24N4O2 (412.18991639999996)


   

(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C26H24N2O3 (412.17868339999995)


   
   
   
   
   
   
   

(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide

(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide

C19H28N2O8 (412.1845568)


   

1,6,9,15-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,16-tetramethyl-10,11-dioxatetracyclo[7.7.1.02,6.013,17]heptadec-3-ene-5,14-dione

1,6,9,15-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,16-tetramethyl-10,11-dioxatetracyclo[7.7.1.02,6.013,17]heptadec-3-ene-5,14-dione

C20H28O9 (412.17332380000005)


   

17alpha-hydroxypregnenolone 3-sulfate

17alpha-hydroxypregnenolone 3-sulfate

C21H32O6S (412.1919492)


A steroid sulfate that is 17alpha-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.

   

Hydroxypregnenolone sulfate

Hydroxypregnenolone sulfate

C21H32O6S (412.1919492)


   

Desmethyl cariprazine

Desmethyl cariprazine

C20H30Cl2N4O (412.17965499999997)


Desmethyl cariprazine is an active metabolite of Cariprazine[1]. Cariprazine, an antipsychotic agent candidate, exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM)[2].

   

HIF1-IN-3

HIF1-IN-3

C26H24N2O3 (412.17868339999995)


HIF1-IN-3 (compound F4) is a potent HIF1 inhibitor with an EC50 value of 0.9 μM. HIF1-IN-3 can be used for researching anticancer[1].

   

4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid

4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid

C20H28O9 (412.17332380000005)


   

(4s,4ar,5r,6s)-3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate

(4s,4ar,5r,6s)-3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate

C24H28O6 (412.1885788)


   

16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile

16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile

C21H24N4O5 (412.1746614)


   

4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

C20H28O9 (412.17332380000005)


   

(1r,2s,3s,7s,8r,9s,12r,13r,14s,15r,16r,17s)-3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

(1r,2s,3s,7s,8r,9s,12r,13r,14s,15r,16r,17s)-3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

C20H28O9 (412.17332380000005)


   

1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-(4-hydroxyphenyl)prop-2-enoate

1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-(4-hydroxyphenyl)prop-2-enoate

C24H28O6 (412.1885788)


   

(1's,2s,3'r,4s,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione

(1's,2s,3'r,4s,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione

C20H28O9 (412.17332380000005)


   

4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate

4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate

C20H28O9 (412.17332380000005)


   

(2s,4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(2s,4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C20H28O9 (412.17332380000005)


   

(2e)-n-(4-aminobutyl)-3-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid

(2e)-n-(4-aminobutyl)-3-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid

C19H28N2O8 (412.1845568)


   

4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol

4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol

C24H28O6 (412.1885788)


   

7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoate

7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoate

C24H28O6 (412.1885788)


   

{1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acid

{1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acid

C21H32O6S (412.1919492)


   

(12r,15s,16r,17r)-16-[(2r)-2-hydroxy-3-methylbutanoyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,15s,16r,17r)-16-[(2r)-2-hydroxy-3-methylbutanoyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1885788)


   

(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one

(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one

C20H28O9 (412.17332380000005)


   

(2S,3S)- pterosin S- 14- O- β-glucopyranoside

NA

C20H28O9 (412.17332380000005)


{"Ingredient_id": "HBIN006732","Ingredient_name": "(2S,3S)- pterosin S- 14- O- \u03b2-glucopyranoside","Alias": "NA","Ingredient_formula": "C20H28O9","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCOC3C(C(C(C(O3)CO)O)O)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2r,3r,4s,5r,6r)-2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-2-methylbut-2-enoate

(2r,3r,4s,5r,6r)-2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-2-methylbut-2-enoate

C20H28O9 (412.17332380000005)


   

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s)-pentan-2-yloxy]oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s)-pentan-2-yloxy]oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C20H28O9 (412.17332380000005)


   

(1r,3r,4s,9s,16s,18s,19s,21s)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile

(1r,3r,4s,9s,16s,18s,19s,21s)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile

C21H24N4O5 (412.1746614)


   

2'-hydroxy-4-(1-hydroxyethyl)-12'-(2-hydroxypropan-2-yl)-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

2'-hydroxy-4-(1-hydroxyethyl)-12'-(2-hydroxypropan-2-yl)-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

C20H28O9 (412.17332380000005)


   

(1r,2r,3r,6r,8s,11s,12s,13s,14r,15r,16s,17r)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one

(1r,2r,3r,6r,8s,11s,12s,13s,14r,15r,16s,17r)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one

C20H28O9 (412.17332380000005)


   

6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one

6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one

C24H28O6 (412.1885788)


   

(12r,15s,16r,17r)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,15s,16r,17r)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1885788)


   

(1s,4s,6r,8s,9r,10r,11r)-10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl (2z)-3-(methylsulfanyl)prop-2-enoate

(1s,4s,6r,8s,9r,10r,11r)-10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl (2z)-3-(methylsulfanyl)prop-2-enoate

C21H32O6S (412.1919492)


   

16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

C24H28O6 (412.1885788)


   

(12r,15s,16r,17r)-16-[(2s)-2-hydroperoxy-3-methylbut-3-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,15s,16r,17r)-16-[(2s)-2-hydroperoxy-3-methylbut-3-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1885788)


   

(9e,11s,12s)-6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one

(9e,11s,12s)-6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one

C24H28O6 (412.1885788)


   

(2r)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one

(2r)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one

C24H28O6 (412.1885788)


   

3,7,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

3,7,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

C20H28O9 (412.17332380000005)


   

(1r,2r,3r,6r,8s,11s,12s,13s,14r,15r,16s,17s)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one

(1r,2r,3r,6r,8s,11s,12s,13s,14r,15r,16s,17s)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one

C20H28O9 (412.17332380000005)


   

16-(2-hydroxy-3-methylbutanoyl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

16-(2-hydroxy-3-methylbutanoyl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1885788)


   

2-(hydroxymethyl)-6-[(1,7,14-trihydroxytetradeca-4,12-dien-8,10-diyn-6-yl)oxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[(1,7,14-trihydroxytetradeca-4,12-dien-8,10-diyn-6-yl)oxy]oxane-3,4,5-triol

C20H28O9 (412.17332380000005)


   

(1r,3r)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile

(1r,3r)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile

C21H24N4O5 (412.1746614)


   

6-(1,2-dihydroxyethyl)-2,5,7-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one

6-(1,2-dihydroxyethyl)-2,5,7-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one

C20H28O9 (412.17332380000005)


   

(2s,3s,5s)-2-(carboxymethyl)-8-nonyl-9-oxo-1,6-dioxaspiro[4.4]non-7-ene-2,3-dicarboxylic acid

(2s,3s,5s)-2-(carboxymethyl)-8-nonyl-9-oxo-1,6-dioxaspiro[4.4]non-7-ene-2,3-dicarboxylic acid

C20H28O9 (412.17332380000005)


   

3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

C20H28O9 (412.17332380000005)


   

[(1r,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1r,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C21H32O6S (412.1919492)


   

(2s,3s)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one

(2s,3s)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one

C20H28O9 (412.17332380000005)


   

2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

C24H28O6 (412.1885788)


   

3,12,13,14,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

3,12,13,14,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

C20H28O9 (412.17332380000005)


   

(8s)-8,10-dihydroxy-7-methoxy-3-[(2e,4r)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one

(8s)-8,10-dihydroxy-7-methoxy-3-[(2e,4r)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one

C24H28O6 (412.1885788)


   

(2r,3r,4r)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

(2r,3r,4r)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

C24H28O6 (412.1885788)


   

(1s,5r,11s,12r,15s,16s)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

(1s,5r,11s,12r,15s,16s)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

C24H28O6 (412.1885788)


   

4,7,8-trihydroxy-4'-(1-hydroxyethyl)-5-methoxy-3,3,5a-trimethyl-4,5,7,8-tetrahydro-3ah-spiro[indeno[4,5-c]furan-6,2'-oxolane]-1,5'-dione

4,7,8-trihydroxy-4'-(1-hydroxyethyl)-5-methoxy-3,3,5a-trimethyl-4,5,7,8-tetrahydro-3ah-spiro[indeno[4,5-c]furan-6,2'-oxolane]-1,5'-dione

C20H28O9 (412.17332380000005)


   

(12r,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1885788)


   

(1's,2s,2'r,3's,4s,5'r,7'r,8's,9'r,12's)-2'-hydroxy-4-[(1r)-1-hydroxyethyl]-12'-(2-hydroxypropan-2-yl)-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

(1's,2s,2'r,3's,4s,5'r,7'r,8's,9'r,12's)-2'-hydroxy-4-[(1r)-1-hydroxyethyl]-12'-(2-hydroxypropan-2-yl)-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

C20H28O9 (412.17332380000005)


   

(1'r,2s,2's,3'r,4r,5'r,7's,8's,9's,12'r)-4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

(1'r,2s,2's,3'r,4r,5'r,7's,8's,9's,12'r)-4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

C20H28O9 (412.17332380000005)


   

(1r,6s,7r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one

(1r,6s,7r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one

C24H28O6 (412.1885788)


   

3',8',9'-trihydroxy-4-(1-hydroxyethyl)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione

3',8',9'-trihydroxy-4-(1-hydroxyethyl)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione

C20H28O9 (412.17332380000005)


   

(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C24H28O6 (412.1885788)


   

(2r,3r)-6-[(1s)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one

(2r,3r)-6-[(1s)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one

C20H28O9 (412.17332380000005)


   

4-[(1r,2r,3s,4s)-2-[4-(acetyloxy)-3-methoxyphenyl]-3,4-dimethylcyclobutyl]-2-methoxyphenyl acetate

4-[(1r,2r,3s,4s)-2-[4-(acetyloxy)-3-methoxyphenyl]-3,4-dimethylcyclobutyl]-2-methoxyphenyl acetate

C24H28O6 (412.1885788)


   

10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl 3-(methylsulfanyl)prop-2-enoate

10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl 3-(methylsulfanyl)prop-2-enoate

C21H32O6S (412.1919492)


   

[(1s,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1s,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C21H32O6S (412.1919492)


   

3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate

3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate

C24H28O6 (412.1885788)


   

(1r,4r,5r,6s,7r,8r,11r,13s,16s,17s,18s,19r)-4,5,7,8,16,17-hexahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one

(1r,4r,5r,6s,7r,8r,11r,13s,16s,17s,18s,19r)-4,5,7,8,16,17-hexahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one

C20H28O9 (412.17332380000005)


   

n-(4-aminobutyl)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid

n-(4-aminobutyl)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid

C19H28N2O8 (412.1845568)


   

(1r,5as,9r,9as,9br)-1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(1r,5as,9r,9as,9br)-1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C24H28O6 (412.1885788)


   

4-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol

4-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol

C24H28O6 (412.1885788)


   

(1r,2s,3s,7r,9r,12r,13r,14s,15r,16r,17s)-3,7,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

(1r,2s,3s,7r,9r,12r,13r,14s,15r,16r,17s)-3,7,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

C20H28O9 (412.17332380000005)


   

3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one

3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one

C20H28O9 (412.17332380000005)


   

(12r,15s,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,15s,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1885788)


   

(1r,2s,3s,7s,9r,12r,13r,14r,15s,16r,17s)-3,12,13,14,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

(1r,2s,3s,7s,9r,12r,13r,14r,15s,16r,17s)-3,12,13,14,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione

C20H28O9 (412.17332380000005)


   

(2r,3r,4s)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

(2r,3r,4s)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

C24H28O6 (412.1885788)


   

16-(3-hydroperoxy-3-methylbut-1-en-1-yl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

16-(3-hydroperoxy-3-methylbut-1-en-1-yl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1885788)


   

(2r,3r,4s,5r,6r)-2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2z)-2-methylbut-2-enoate

(2r,3r,4s,5r,6r)-2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2z)-2-methylbut-2-enoate

C20H28O9 (412.17332380000005)


   

(1r,5r,11s,12r,15r,16r)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

(1r,5r,11s,12r,15r,16r)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

C24H28O6 (412.1885788)


   

2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 2-methylbut-2-enoate

2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 2-methylbut-2-enoate

C20H28O9 (412.17332380000005)


   

16-(2-hydroperoxy-3-methylbut-3-en-1-yl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

16-(2-hydroperoxy-3-methylbut-3-en-1-yl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1885788)


   

8,10-dihydroxy-7-methoxy-3-(4-methylhex-2-en-2-yl)-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one

8,10-dihydroxy-7-methoxy-3-(4-methylhex-2-en-2-yl)-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one

C24H28O6 (412.1885788)


   

4,5,7,8,16,17-hexahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one

4,5,7,8,16,17-hexahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one

C20H28O9 (412.17332380000005)


   

(1'r,2s,2's,3'r,4r,5'r,7's,8's,9's,12'r)-4,12'-dihydroxy-4-[(1s)-1-hydroxyethyl]-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

(1'r,2s,2's,3'r,4r,5'r,7's,8's,9's,12'r)-4,12'-dihydroxy-4-[(1s)-1-hydroxyethyl]-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

C20H28O9 (412.17332380000005)


   

(1r,6s,7r,9r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one

(1r,6s,7r,9r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one

C24H28O6 (412.1885788)


   

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(4e,6s,7r,12e)-1,7,14-trihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(4e,6s,7r,12e)-1,7,14-trihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}oxane-3,4,5-triol

C20H28O9 (412.17332380000005)


   

1,3,5-trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)xanthen-9-one

1,3,5-trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)xanthen-9-one

C24H28O6 (412.1885788)