Exact Mass: 345.19399820000007

Exact Mass Matches: 345.19399820000007

Found 176 metabolites which its exact mass value is equals to given mass value 345.19399820000007, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Rosmaricine

8-amino-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one

C20H27NO4 (345.19399820000007)


Rosmaricine is found in herbs and spices. Rosmaricine is isolated from rosemary (Rosmarinus officinalis) using NH3 during extraction. Isolated from rosemary (Rosmarinus officinalis) using NH3 during extraction. Rosmaricine is found in herbs and spices and rosemary.

   

Bevantolol

1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanol

C20H27NO4 (345.19399820000007)


Bevantolol is a beta-1 adrenoceptor antagonist that has been shown to be as effective as other beta blockers for the treatment of angina pectoris and hypertension. Mechanism of Action Animal experiments confirm both agonist and antagonist effects on alpha-receptors, in addition to antagonist activity at beta-1 receptors. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol

5-tert-butyl-3-[(tert-butylamino)methyl]-4-chloro-[1,1-biphenyl]-2-ol

C21H28ClNO (345.18593080000005)


   
   
   
   

(E)-(4-Hydroxy-3-methoxycinnamoyl)epilupinine

(E)-(4-Hydroxy-3-methoxycinnamoyl)epilupinine

C20H27NO4 (345.19399820000007)


   
   
   

(1-(3-chloropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

(1-(3-chloropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

C21H28ClNO (345.18593080000005)


   

(1-(4-chloropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

(1-(4-chloropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

C21H28ClNO (345.18593080000005)


   
   

(1-(2-chloropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

(1-(2-chloropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

C21H28ClNO (345.18593080000005)


   

(2E)-11-(4-aminophenyl)-5,9-O-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid

(2E)-11-(4-aminophenyl)-5,9-O-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid

C20H27NO4 (345.19399820000007)


   

2,13-dimethoxy-13,16-cyclo-12,16-seco-kesselringan-11-ol|5,6a-dimethoxy-1-methyl-1,2,3,7,8,9,10,11,12,12a-decahydro-6aH-benzo[4,5]furo[4,3,2:4,5]naphtho[1,8-bc]pyridin-8-ol|Luteicin|luteicine

2,13-dimethoxy-13,16-cyclo-12,16-seco-kesselringan-11-ol|5,6a-dimethoxy-1-methyl-1,2,3,7,8,9,10,11,12,12a-decahydro-6aH-benzo[4,5]furo[4,3,2:4,5]naphtho[1,8-bc]pyridin-8-ol|Luteicin|luteicine

C20H27NO4 (345.19399820000007)


   

Holidinine|robustinine|Robustivine

Holidinine|robustinine|Robustivine

C20H27NO4 (345.19399820000007)


   
   
   
   
   

N-[(3R,7R)-(-)-jasmonoyl]dopamine

N-[(3R,7R)-(-)-jasmonoyl]dopamine

C20H27NO4 (345.19399820000007)


   

7-O-Aethyl-lycorenin|7alpha-ethoxy-9,10-dimethoxy-1-methyl-lycoran-4(12)-ene|O-ethyl-lycorenine|O-ethyllycorenine

7-O-Aethyl-lycorenin|7alpha-ethoxy-9,10-dimethoxy-1-methyl-lycoran-4(12)-ene|O-ethyl-lycorenine|O-ethyllycorenine

C20H27NO4 (345.19399820000007)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

Ala Ala Gly Lys

(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]acetamido}hexanoic acid

C14H27N5O5 (345.2012092)


   

Ala Ala Lys Gly

2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]hexanamido]acetic acid

C14H27N5O5 (345.2012092)


   

Ala Gly Ala Lys

(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}propanamido]hexanoic acid

C14H27N5O5 (345.2012092)


   

Ala Gly Lys Ala

(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-aminopropanamido]acetamido}hexanamido]propanoic acid

C14H27N5O5 (345.2012092)


   

Ala Lys Ala Gly

2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-aminopropanamido]hexanamido]propanamido]acetic acid

C14H27N5O5 (345.2012092)


   

Ala Lys Gly Ala

(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-aminopropanamido]hexanamido]acetamido}propanoic acid

C14H27N5O5 (345.2012092)


   

Gly Ala Ala Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]propanamido]hexanoic acid

C14H27N5O5 (345.2012092)


   

Gly Ala Lys Ala

(2S)-2-[(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)propanamido]hexanamido]propanoic acid

C14H27N5O5 (345.2012092)


   

Gly Lys Ala Ala

(2S)-2-[(2S)-2-[(2S)-6-amino-2-(2-aminoacetamido)hexanamido]propanamido]propanoic acid

C14H27N5O5 (345.2012092)


   

Lys Ala Ala Gly

2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]propanamido]propanamido]acetic acid

C14H27N5O5 (345.2012092)


   

Lys Ala Gly Ala

(2S)-2-{2-[(2S)-2-[(2S)-2,6-diaminohexanamido]propanamido]acetamido}propanoic acid

C14H27N5O5 (345.2012092)


   
   

Lys Gly Ala Ala

(2S)-2-[(2S)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}propanamido]propanoic acid

C14H27N5O5 (345.2012092)


   
   
   
   
   
   
   
   
   

PF-750

N-phenyl-4-(quinolin-2-ylmethyl)piperidine-1-carboxamide

C22H23N3O (345.1841028)


PF 750 is a selective and covalent fatty acid amide hydrolase (FAAH) inhibitor, with IC50s varied from 16.2-595 nM in different pre-incubation times. Covalently modifies the enzyme’s active site serine nucleophile[1].

   

bevantolol

1-(3,4-Dimethoxyphenethylamino)-3-(m-tolyloxy)-2-propanol;Bevantololum [inn-latin]

C20H27NO4 (345.19399820000007)


C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

Rosmaricine

8-amino-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one

C20H27NO4 (345.19399820000007)


   

N-jasmonoyl-dopamine

N-({(1R,2R)-3-Oxo-2-[(2Z)-Pent-2-En-1-Yl]cyclopentyl}acetyl)-dopamine

C20H27NO4 (345.19399820000007)


   

(+/-)-PPHT HYDROCHLORIDE (N-0434) POTENT D2 DOPAMINE RE

(+/-)-PPHT HYDROCHLORIDE (N-0434) POTENT D2 DOPAMINE RE

C21H28ClNO (345.18593080000005)


   

4-[4-(2-phenylethyl)piperidin-1-yl]quinazoline-6-carbaldehyde

4-[4-(2-phenylethyl)piperidin-1-yl]quinazoline-6-carbaldehyde

C22H23N3O (345.1841028)


   

1-(3,7-dimethyloctyl)-1-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridine bro mide

1-(3,7-dimethyloctyl)-1-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridine bro mide

C18H36BrN (345.20309560000004)


   

2-Azido-1,3-bis[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]propane

2-Azido-1,3-bis[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]propane

C15H27N3O6 (345.1899762)


   

(2R,3S)-1-CHLORO-3-DIBENZYLAMINO-5-METHYLHEXAN-2-OL

(2R,3S)-1-CHLORO-3-DIBENZYLAMINO-5-METHYLHEXAN-2-OL

C21H28ClNO (345.18593080000005)


   
   

2,4,6-tris(tert-butylperoxy)-1,3,5-triazine

2,4,6-tris(tert-butylperoxy)-1,3,5-triazine

C15H27N3O6 (345.1899762)


   

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxypropanoate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxypropanoate

C20H27NO4 (345.19399820000007)


   

2-ETHYLHEXYL ALPHA-CYANO-3,4-DIMETHOXYCINNAMATE

2-ETHYLHEXYL ALPHA-CYANO-3,4-DIMETHOXYCINNAMATE

C20H27NO4 (345.19399820000007)


   

Diphenidol hydrochloride

Diphenidol (hydrochloride)

C21H28ClNO (345.18593080000005)


D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Diphenidol hydrochloride (Difenidol hydrochloride) is a non-selective muscarinic M1-M4 receptor antagonist, has anti-arrhythmic activity. Diphenidol hydrochloride is also a potent non-specific blocker of voltage-gated ion channels (Na+, K+, and Ca2+) in neuronal cells. Diphenidol hydrochloride can be used in the study of antivertigo and antinausea[1][2][3][4][5].

   

2-FLUORO-4-[[4-(TRANS-4-PROPYLCYCLOHEXYL)PHENYL]ETHYNYL]CYANOPHENYL

2-FLUORO-4-[[4-(TRANS-4-PROPYLCYCLOHEXYL)PHENYL]ETHYNYL]CYANOPHENYL

C24H24FN (345.1892676)


   

Dibenzyl diisopropylphosphoramidoite

Dibenzyl diisopropylphosphoramidoite

C20H28NO2P (345.18575580000004)


   

Levomethadone hydrochloride

(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1)

C21H28ClNO (345.18593080000005)


   

2-(1-(TERT-BUTOXYCARBONYL)-2,3-DIHYDROSPIRO[INDENE-1,4-PIPERIDIN]-3-YL)ACETIC ACID

2-(1-(TERT-BUTOXYCARBONYL)-2,3-DIHYDROSPIRO[INDENE-1,4-PIPERIDIN]-3-YL)ACETIC ACID

C20H27NO4 (345.19399820000007)


   

Methadone hydrochloride

Methadone hydrochloride

C21H28ClNO (345.18593080000005)


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 D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Eptapirone

Eptapirone

C16H23N7O2 (345.1913138)


C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Eptapirone (F11440) is a potent, selective, high efficacy 5-HT1A receptor agonist with marked anxiolytic and antidepressant potential.

   

4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol

4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol

C21H28ClNO (345.18593080000005)


   
   

N-(1-naphthalenyl)-4-(phenylmethyl)-1-piperazinecarboxamide

N-(1-naphthalenyl)-4-(phenylmethyl)-1-piperazinecarboxamide

C22H23N3O (345.1841028)


   
   

Leucyl-aspartyl-valine

Leucyl-aspartyl-valine

C15H27N3O6 (345.1899762)


   
   
   

N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

C22H23N3O (345.1841028)


PF 750 is a selective and covalent fatty acid amide hydrolase (FAAH) inhibitor, with IC50s varied from 16.2-595 nM in different pre-incubation times. Covalently modifies the enzyme’s active site serine nucleophile[1].

   

Leu-Val-Asp

Leu-Val-Asp

C15H27N3O6 (345.1899762)


A tripeptide composed of L-leucine, L-valine and L-aspartic acid joined in sequence by peptide linkages.

   

Glu-Val-Val

Glu-Val-Val

C15H27N3O6 (345.1899762)


A tripeptide composed of L-glutamic acid and two L-valine units joined in sequence by peptide linkages.

   

4-[[(4S)-2-amino-3-[2-(1-naphthalenyl)ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol

4-[[(4S)-2-amino-3-[2-(1-naphthalenyl)ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol

C22H23N3O (345.1841028)


   

1-Tert-butyl-6-methyl-3-(1-naphthalenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine

1-Tert-butyl-6-methyl-3-(1-naphthalenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine

C21H23N5 (345.1953358)


   

N-(cyclohexylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine

N-(cyclohexylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine

C21H23N5 (345.1953358)


   

(2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

C20H27NO4 (345.19399820000007)


   
   
   
   
   
   

4-[[(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]oxazole

4-[[(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]oxazole

C22H23N3O (345.1841028)


   
   
   
   
   
   
   
   
   
   
   
   

11-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoundecanoate

11-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoundecanoate

C17H29O7- (345.1913184)


   

(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoundecanoate

(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoundecanoate

C17H29O7- (345.1913184)


   

DI-Tert-butyl 2-phenyl-1-pyrroline-trans-3,4-dicarboxylate

DI-Tert-butyl 2-phenyl-1-pyrroline-trans-3,4-dicarboxylate

C20H27NO4 (345.19399820000007)


   
   
   
   

TCS 46b

TCS 46b

C22H23N3O (345.1841028)


TCS 46b (Compound 46b) is a potent, selective and orally active NMDA NR1A/2B receptor antagonist with an IC50 of 5.3 nM[1]. TCS 46b is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

(1r,2s,11r,12r,15s,16r,18r)-12-[(1s)-1-hydroxyethyl]-14,20-dioxa-6-azahexacyclo[16.2.1.0¹,⁶.0²,¹⁰.0²,¹⁶.0¹¹,¹⁵]henicos-9-en-13-one

(1r,2s,11r,12r,15s,16r,18r)-12-[(1s)-1-hydroxyethyl]-14,20-dioxa-6-azahexacyclo[16.2.1.0¹,⁶.0²,¹⁰.0²,¹⁶.0¹¹,¹⁵]henicos-9-en-13-one

C20H27NO4 (345.19399820000007)


   

(1s)-octahydro-1h-quinolizin-1-ylmethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(1s)-octahydro-1h-quinolizin-1-ylmethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C20H27NO4 (345.19399820000007)


   

(1s,5s,6r,8r,9s,11r,13r,14s,15s,16r,17s,18s,19r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-6,13,15,19-tetrol

(1s,5s,6r,8r,9s,11r,13r,14s,15s,16r,17s,18s,19r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-6,13,15,19-tetrol

C20H27NO4 (345.19399820000007)


   

(2s)-1-{[(3r,3as,6ar,9ar,9bs)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

(2s)-1-{[(3r,3as,6ar,9ar,9bs)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

C20H27NO4 (345.19399820000007)


   

4,12,14-trihydroxy-5-isopropyl-6,9-dimethyl-15-azatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadeca-1,13(16),14-trien-3-one

4,12,14-trihydroxy-5-isopropyl-6,9-dimethyl-15-azatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadeca-1,13(16),14-trien-3-one

C20H27NO4 (345.19399820000007)


   

(1r,3r,4s,5r,8r,9s,11s,13r,14s,16s,17r,18r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,4,13,18-tetrol

(1r,3r,4s,5r,8r,9s,11s,13r,14s,16s,17r,18r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,4,13,18-tetrol

C20H27NO4 (345.19399820000007)


   

1-{[(3as,6ar,9ar,9bs)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

1-{[(3as,6ar,9ar,9bs)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

C20H27NO4 (345.19399820000007)


   

4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-6-ol

4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-6-ol

C20H27NO4 (345.19399820000007)


   

5,8-dimethoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),8,10(18)-trien-4-ol

5,8-dimethoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),8,10(18)-trien-4-ol

C20H27NO4 (345.19399820000007)


   

(2S)-1-[[(3R,3aS,6aR,9aR,9bS)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]proline

(2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid; (2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]-2-pyrrolidinecarboxylic acid; (2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid

C20H27NO4 (345.19399820000007)


{"Ingredient_id": "HBIN006567","Ingredient_name": "(2S)-1-[[(3R,3aS,6aR,9aR,9bS)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]proline","Alias": "(2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid; (2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]-2-pyrrolidinecarboxylic acid; (2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid","Ingredient_formula": "C20H27NO4","Ingredient_Smile": "NA","Ingredient_weight": "345.43","OB_score": "20.90306639","CAS_id": "126209-82-3","SymMap_id": "SMIT10448","TCMID_id": "NA","TCMSP_id": "MOL009296","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

7-deoxycephalofortuneine

NA

C20H27NO4 (345.19399820000007)


{"Ingredient_id": "HBIN013159","Ingredient_name": "7-deoxycephalofortuneine","Alias": "NA","Ingredient_formula": "C20H27NO4","Ingredient_Smile": "COC1CC23C(=CC1O)CCN2CCCC4=CC(=C(C=C34)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5159","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,2s,3s,5s,8r,9s,11s,13r,14s,16s,17r,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,3,13,18-tetrol

(1r,2s,3s,5s,8r,9s,11s,13r,14s,16s,17r,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,3,13,18-tetrol

C20H27NO4 (345.19399820000007)


   

(1s,17s)-5,6,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2,4,6,14-tetraen-4-ol

(1s,17s)-5,6,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2,4,6,14-tetraen-4-ol

C20H27NO4 (345.19399820000007)


   

4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-16-ol

4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-16-ol

C20H27NO4 (345.19399820000007)


   

n-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl]ethanimidic acid

n-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl]ethanimidic acid

C20H27NO4 (345.19399820000007)


   

(1s,3s,5r,8s,9r,10s,11r,14r,16s,17r,18s,19r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,9,10,19-tetrol

(1s,3s,5r,8s,9r,10s,11r,14r,16s,17r,18s,19r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,9,10,19-tetrol

C20H27NO4 (345.19399820000007)


   

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-6,13,15,19-tetrol

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-6,13,15,19-tetrol

C20H27NO4 (345.19399820000007)


   

(1r,9s,10s,12r)-4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5-trien-13-one

(1r,9s,10s,12r)-4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5-trien-13-one

C20H27NO4 (345.19399820000007)


   

(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-3-methylbutylidene]amino}butanedioic acid

(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-3-methylbutylidene]amino}butanedioic acid

C15H27N3O6 (345.1899762)


   

(2r)-1-{[(3r,3as,6ar,9ar,9bs)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

(2r)-1-{[(3r,3as,6ar,9ar,9bs)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

C20H27NO4 (345.19399820000007)


   

octahydro-1h-quinolizin-1-ylmethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

octahydro-1h-quinolizin-1-ylmethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C20H27NO4 (345.19399820000007)


   

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,4,13,18-tetrol

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,4,13,18-tetrol

C20H27NO4 (345.19399820000007)


   

4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5-trien-13-one

4,5,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5-trien-13-one

C20H27NO4 (345.19399820000007)


   

(2e)-4-[(2s,3r,5r,6s)-6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl]pent-2-enoic acid

(2e)-4-[(2s,3r,5r,6s)-6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl]pent-2-enoic acid

C20H27NO4 (345.19399820000007)


   

(2s,3s,5r,6r,9s,11s,16r,17s,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,3,6,18-tetrol

(2s,3s,5r,6r,9s,11s,16r,17s,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,3,6,18-tetrol

C20H27NO4 (345.19399820000007)


   

(1s,16s,17r)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-16-ol

(1s,16s,17r)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-16-ol

C20H27NO4 (345.19399820000007)


   

5,6,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2,4,6,14-tetraen-4-ol

5,6,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2,4,6,14-tetraen-4-ol

C20H27NO4 (345.19399820000007)


   

(2s)-1-{[(3as)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

(2s)-1-{[(3as)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

C20H27NO4 (345.19399820000007)


   

4,5,6-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-17-ol

4,5,6-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-17-ol

C20H27NO4 (345.19399820000007)


   

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,6,10,19-tetrol

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,6,10,19-tetrol

C20H27NO4 (345.19399820000007)


   

(1s,9ar)-octahydro-1h-quinolizin-1-ylmethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(1s,9ar)-octahydro-1h-quinolizin-1-ylmethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C20H27NO4 (345.19399820000007)


   

4-{6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl}pent-2-enoic acid

4-{6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl}pent-2-enoic acid

C20H27NO4 (345.19399820000007)


   

5,9-dimethoxy-14-methyl-7-oxa-14-azapentacyclo[9.6.2.0¹,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-8(18),9,11(19)-trien-4-ol

5,9-dimethoxy-14-methyl-7-oxa-14-azapentacyclo[9.6.2.0¹,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-8(18),9,11(19)-trien-4-ol

C20H27NO4 (345.19399820000007)


   

(1s,17s)-4,5,6-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-17-ol

(1s,17s)-4,5,6-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-17-ol

C20H27NO4 (345.19399820000007)


   

(4r,5r,6r,9r,12s)-4,12,14-trihydroxy-5-isopropyl-6,9-dimethyl-15-azatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadeca-1,13(16),14-trien-3-one

(4r,5r,6r,9r,12s)-4,12,14-trihydroxy-5-isopropyl-6,9-dimethyl-15-azatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadeca-1,13(16),14-trien-3-one

C20H27NO4 (345.19399820000007)


   

n-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-oxo-2-(pent-2-en-1-yl)cyclopentyl]ethanimidic acid

n-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-oxo-2-(pent-2-en-1-yl)cyclopentyl]ethanimidic acid

C20H27NO4 (345.19399820000007)


   

8-ethoxy-4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,12-tetraene

8-ethoxy-4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,12-tetraene

C20H27NO4 (345.19399820000007)


   

(1r,4r,5s,14s)-5,8-dimethoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),8,10(18)-trien-4-ol

(1r,4r,5s,14s)-5,8-dimethoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),8,10(18)-trien-4-ol

C20H27NO4 (345.19399820000007)


   

(1s,3r,5r,6s,8r,9s,10s,11r,14r,16s,17s,18r,19r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,6,10,19-tetrol

(1s,3r,5r,6s,8r,9s,10s,11r,14r,16s,17s,18r,19r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,6,10,19-tetrol

C20H27NO4 (345.19399820000007)


   

1-({6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl}methyl)pyrrolidine-2-carboxylic acid

1-({6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl}methyl)pyrrolidine-2-carboxylic acid

C20H27NO4 (345.19399820000007)


   

(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl (2s)-2-amino-3-methylbutanoate

(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl (2s)-2-amino-3-methylbutanoate

C20H27NO4 (345.19399820000007)


   

(1r,2s,3s,5s,6r,8r,9s,11s,14s,16s,17s,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,3,6,18-tetrol

(1r,2s,3s,5s,6r,8r,9s,11s,14s,16s,17s,18s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,3,6,18-tetrol

C20H27NO4 (345.19399820000007)


   

(1s,8s,10r,17s)-8-ethoxy-4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,12-tetraene

(1s,8s,10r,17s)-8-ethoxy-4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,12-tetraene

C20H27NO4 (345.19399820000007)


   

(1r,3r,4r,5r,8r,9s,11s,13r,14s,16s,17r,18r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,4,13,18-tetrol

(1r,3r,4r,5r,8r,9s,11s,13r,14s,16s,17r,18r)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,4,13,18-tetrol

C20H27NO4 (345.19399820000007)


   

(1s,17s)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-6-ol

(1s,17s)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-6-ol

C20H27NO4 (345.19399820000007)


   

(2r,3r)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-phenoxybutan-2-ol

(2r,3r)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-phenoxybutan-2-ol

C20H27NO4 (345.19399820000007)


   

3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl 2-amino-3-methylbutanoate

3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl 2-amino-3-methylbutanoate

C20H27NO4 (345.19399820000007)