Exact Mass: 354.1362

Exact Mass Matches: 354.1362

Found 113 metabolites which its exact mass value is equals to given mass value 354.1362, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

FUSARENON X

Trichothec-9-en-8-one, 12,13-epoxy-3alpha,4beta,7beta,15-tetrahydroxy-, 4-acetate

C17H22O8 (354.1315)


D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   
   

Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside

Methyl 8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-9-en-4,6-diynoic acid

C17H22O8 (354.1315)


Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is found in root vegetables. Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is found in root vegetables.

   

Methyl helianthenoate F glucoside

Methyl (8Z)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-8-en-4,6-diynoic acid

C17H22O8 (354.1315)


Methyl helianthenoate F glucoside is found in root vegetables. Methyl helianthenoate F glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl helianthenoate F glucoside is found in root vegetables.

   

1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol

1,2-bis(5-methoxy-3H-1,3-benzodiazol-2-yl)ethane-1,2-diol

C18H18N4O4 (354.1328)


   

Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, trans-

Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, trans-

C18H24Cl2N2O (354.1266)


   

FUSARENON X

3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxo-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,⁷]dodecan]-5-en-11-yl acetate

C17H22O8 (354.1315)


   

Isofezolac

2-(1,3,4-triphenyl-1H-pyrazol-5-yl)acetic acid

C23H18N2O2 (354.1368)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

Hydroprotopine

13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.0^{2,10.0^{4,8.0^{15,23.0^{16,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-ol

C20H20NO5+ (354.1341)


   

Piptocarphin D

Piptocarphin D

C17H22O8 (354.1315)


   

8alpha-Acetylanthemolide B

8alpha-Acetylanthemolide B

C17H22O8 (354.1315)


   

9-O-Acetylanthemolide B

9-O-Acetylanthemolide B

C17H22O8 (354.1315)


   

Dehydrocapaurimine

Dehydrocapaurimine

C20H20NO5 (354.1341)


   

plumbaside B

plumbaside B

C17H22O8 (354.1315)


   

2-[[N-Methyl-N-(5-guanidino-2-aminopentanoyl)hydrazino]phosphonyl]-2-hydroxyacetic acid methyl ester

2-[[N-Methyl-N-(5-guanidino-2-aminopentanoyl)hydrazino]phosphonyl]-2-hydroxyacetic acid methyl ester

C10H23N6O6P (354.1417)


   

MCULE-2151153428

MCULE-2151153428

C18H18N4O4 (354.1328)


   

merrilactone C

merrilactone C

C17H22O8 (354.1315)


   

8alpha-acetoxy-10alpha-hydroxyhirsutinolide

8alpha-acetoxy-10alpha-hydroxyhirsutinolide

C17H22O8 (354.1315)


   

1,2-Methylenedioxy-4-methoxy-5-allyl-phen-3-yl ??-D-glucopyranoside

1,2-Methylenedioxy-4-methoxy-5-allyl-phen-3-yl ??-D-glucopyranoside

C17H22O8 (354.1315)


   

lysidicin J

lysidicin J

C17H22O8 (354.1315)


   

7-hydroxy-5-methoxy-4,6-dimethyl-7-O-alpha-L-rhamnosylphthalide

7-hydroxy-5-methoxy-4,6-dimethyl-7-O-alpha-L-rhamnosylphthalide

C17H22O8 (354.1315)


   

ethyl 5-O-trans-feruloyl-alpha-L-arabinofuranoside

ethyl 5-O-trans-feruloyl-alpha-L-arabinofuranoside

C17H22O8 (354.1315)


   
   

O-beta-D-Glucopyranoside-3-(3-Hydroxypropyl)phthalide|pediglucoside

O-beta-D-Glucopyranoside-3-(3-Hydroxypropyl)phthalide|pediglucoside

C17H22O8 (354.1315)


   

Fusarenone X

Fusarenone X

C17H22O8 (354.1315)


D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)

   

Fusarenon-X

CID 12309986

C17H22O8 (354.1315)


D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   
   
   

Methyl helianthenoate F glucoside

methyl (8Z)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-8-en-4,6-diynoate

C17H22O8 (354.1315)


   

Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside

methyl 8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-9-en-4,6-diynoate

C17H22O8 (354.1315)


   
   
   

Butyl(triphenyl)phosphonium chloride

Butyl(triphenyl)phosphonium chloride

C22H24ClP (354.1304)


   

4-[carboxy-(3-chloro-phenyl)-methyl]-piperazine-1-carboxylic acid tert-butyl ester hydrochloride

4-[carboxy-(3-chloro-phenyl)-methyl]-piperazine-1-carboxylic acid tert-butyl ester hydrochloride

C17H23ClN2O4 (354.1346)


   

7-CHLORO-2,4-DIMETHYLQUINOLINE

7-CHLORO-2,4-DIMETHYLQUINOLINE

C17H23ClN2O4 (354.1346)


   

Propanedioic acid,2-(3,4,5-trimethoxybenzoyl)-, 1,3-diethyl ester

Propanedioic acid,2-(3,4,5-trimethoxybenzoyl)-, 1,3-diethyl ester

C17H22O8 (354.1315)


   

Thiourea, N-(2,3-dimethylphenyl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]- (9CI)

Thiourea, N-(2,3-dimethylphenyl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]- (9CI)

C19H19FN4S (354.1314)


   

4-Methyl 1-(2-methyl-2-propanyl) 4-[(trifluoroacetyl)amino]-1,4-p iperidinedicarboxylate

4-Methyl 1-(2-methyl-2-propanyl) 4-[(trifluoroacetyl)amino]-1,4-p iperidinedicarboxylate

C14H21F3N2O5 (354.1402)


   

BENZOFURAN-2-YL-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-ACETIC ACID

BENZOFURAN-2-YL-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-ACETIC ACID

C20H19FN2O3 (354.138)


   

4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ylsulfonyl)morpholine

4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ylsulfonyl)morpholine

C15H23BN2O5S (354.1421)


   

sodium,[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate

sodium,[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate

C18H18D4O5S (354.1439)


   

Methyl 4-(4-Boc-1-piperazinyl)-2-chlorobenzoate

Methyl 4-(4-Boc-1-piperazinyl)-2-chlorobenzoate

C17H23ClN2O4 (354.1346)


   

N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)cyclopropanesulfonamide

N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)cyclopropanesulfonamide

C15H23BN2O5S (354.1421)


   

6-(Phthalimidomethyl)-6,11-dihydro-5H-dibenz-[b,e]azepine (PMDAP)

6-(Phthalimidomethyl)-6,11-dihydro-5H-dibenz-[b,e]azepine (PMDAP)

C23H18N2O2 (354.1368)


   

1-Trityl-1H-imidazole-4-carboxylic acid

1-Trityl-1H-imidazole-4-carboxylic acid

C23H18N2O2 (354.1368)


   

N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(2-ethoxycarbonylsulfanyl-4-hydroxy-1-methyl-but-1-enyl)-formamide

N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(2-ethoxycarbonylsulfanyl-4-hydroxy-1-methyl-but-1-enyl)-formamide

C15H22N4O4S (354.1362)


   

Benzoic acid, 4-[1-[(2,4-diaMino-6-pteridinyl)Methyl]-3-butyn-1-yl]-, lithiuM salt (1:1)

Benzoic acid, 4-[1-[(2,4-diaMino-6-pteridinyl)Methyl]-3-butyn-1-yl]-, lithiuM salt (1:1)

C18H15LiN6O2 (354.1416)


   

9,9-Bianthracene

9,9-Bianthracene

C28H18 (354.1408)


   

9-PHENYL-10-PHENYLETHYNYLPHENANTHRENE

9-PHENYL-10-PHENYLETHYNYLPHENANTHRENE

C28H18 (354.1408)


   

Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate

Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate

C17H23ClN2O4 (354.1346)


   

2-Diphenylacetyl-1,3-indandione-1-hydrazone

2-Diphenylacetyl-1,3-indandione-1-hydrazone

C23H18N2O2 (354.1368)


   

Nesolicaftor

Nesolicaftor

C18H18N4O4 (354.1328)


C87006 - Pharmacological Chaperone

   

3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide

3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide

C18H24Cl2N2O (354.1266)


   

1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol

1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol

C18H18N4O4 (354.1328)


   

Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, cis-

Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, cis-

C18H24Cl2N2O (354.1266)


D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

2-[[3-Methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester

2-[[3-Methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester

C15H22N4O4S (354.1362)


   

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinyl)propanamide

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinyl)propanamide

C18H18N4O4 (354.1328)


   

N-(2-oxolanylmethyl)-2-(7-oxo-3-phenyl-6-triazolo[4,5-d]pyrimidinyl)acetamide

N-(2-oxolanylmethyl)-2-(7-oxo-3-phenyl-6-triazolo[4,5-d]pyrimidinyl)acetamide

C17H18N6O3 (354.144)


   

[1-(3-Chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester

[1-(3-Chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester

C17H23ClN2O4 (354.1346)


   
   

4-Acetylnivalenol

4-Acetylnivalenol

C17H22O8 (354.1315)


   

2-(3,4-Dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone

2-(3,4-Dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone

C18H24Cl2N2O (354.1266)


   

3-[(2-Amino-benzoyl)-hydrazono]-N-benzo[1,3]dioxol-5-yl-butyramide

3-[(2-Amino-benzoyl)-hydrazono]-N-benzo[1,3]dioxol-5-yl-butyramide

C18H18N4O4 (354.1328)


   

N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide

N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide

C19H16F2N4O (354.1292)


   

N-[4-(cyanomethyl)phenyl]-4-cyclohexylbenzenesulfonamide

N-[4-(cyanomethyl)phenyl]-4-cyclohexylbenzenesulfonamide

C20H22N2O2S (354.1402)


   

2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}-N-[(1E)-(2-hydroxyphenyl)methylene]acetohydrazide

2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}-N-[(1E)-(2-hydroxyphenyl)methylene]acetohydrazide

C18H18N4O4 (354.1328)


   

N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide

N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide

C19H16F2N4O (354.1292)


   

3,4,5-Trihydroxy-6-[3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid

C17H22O8 (354.1315)


   

6-(2-Benzyl-3-oxobutoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

6-(2-Benzyl-3-oxobutoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H22O8 (354.1315)


   

(1-Phosphonooxy-3-propanoyloxypropan-2-yl) octanoate

(1-Phosphonooxy-3-propanoyloxypropan-2-yl) octanoate

C14H27O8P (354.1443)


   

(1-Butanoyloxy-3-phosphonooxypropan-2-yl) heptanoate

(1-Butanoyloxy-3-phosphonooxypropan-2-yl) heptanoate

C14H27O8P (354.1443)


   

(1-Acetyloxy-3-phosphonooxypropan-2-yl) nonanoate

(1-Acetyloxy-3-phosphonooxypropan-2-yl) nonanoate

C14H27O8P (354.1443)


   

(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) hexanoate

(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) hexanoate

C14H27O8P (354.1443)


   
   

Isofezolac

2-(2,4,5-triphenylpyrazol-3-yl)acetic acid

C23H18N2O2 (354.1368)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

ER-000444793

ER-000444793

C23H18N2O2 (354.1368)


ER-000444793 is a potent inhibitor of mitochondrial permeability transition pore (mPTP) opening. ER-000444793 inhibits mPTP with an IC50 of 2.8?μM.

   

KI-7

KI-7

C23H18N2O2 (354.1368)


KI-7 is an A2B adenosine receptor positive allosteric modulator. KI-7 potentiates the cAMP accumulation induced by the non-selective A2B adenosine receptor agonist NECA (EC50=445.8 nM). KI-7 also potentiates the cAMP accumulation induced by the selective A2B adenosine receptor agonist BAY 60-6583 as well as by adenosine with EC50s of 2390 nM and 2550 nM, respectively[1][2].

   

(2s,3s)-n-(1,3-dihydroxypropan-2-yl)-2,3-dihydroxy-3-[(4s,5s)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanimidic acid

(2s,3s)-n-(1,3-dihydroxypropan-2-yl)-2,3-dihydroxy-3-[(4s,5s)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanimidic acid

C16H22N2O7 (354.1427)


   

(2s)-2-amino-5-carbamimidamido-n-[hydroxy(1-hydroxy-2-methoxy-2-oxoethyl)phosphoryl]-n-methylpentanehydrazonic acid

(2s)-2-amino-5-carbamimidamido-n-[hydroxy(1-hydroxy-2-methoxy-2-oxoethyl)phosphoryl]-n-methylpentanehydrazonic acid

C10H23N6O6P (354.1417)


   

(3s,4r)-8-hydroxy-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-naphthalen-1-one

(3s,4r)-8-hydroxy-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-naphthalen-1-one

C17H22O8 (354.1315)


   

{8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl}methyl acetate

{8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl}methyl acetate

C17H22O8 (354.1315)


   

(10'r,11's)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate

(10'r,11's)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate

C17H22O8 (354.1315)


   

(2e)-8,11-dihydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-10-yl acetate

(2e)-8,11-dihydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-10-yl acetate

C17H22O8 (354.1315)


   

3-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3h-2-benzofuran-1-one

3-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3h-2-benzofuran-1-one

C17H22O8 (354.1315)


   

9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate

9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate

C17H22O8 (354.1315)


   

1,1'-biphenanthrene

1,1'-biphenanthrene

C28H18 (354.1408)


   

[(1s,2e,8r,10r,11s)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

[(1s,2e,8r,10r,11s)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

C17H22O8 (354.1315)


   

(1's,2s,2'r,3's,7'r,9'r,10'r,11's)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate

(1's,2s,2'r,3's,7'r,9'r,10'r,11's)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate

C17H22O8 (354.1315)


   

1,2-methylenedioxy-4-methoxy-5-allyl-phen-3-yl beta-d-glucopyranoside

1,2-methylenedioxy-4-methoxy-5-allyl-phen-3-ylβ-d-glucopyranoside

C17H22O8 (354.1315)


{"Ingredient_id": "HBIN000904","Ingredient_name": "1,2-methylenedioxy-4-methoxy-5-allyl-phen-3-yl beta-d-glucopyranoside","Alias": "1,2-methylenedioxy-4-methoxy-5-allyl-phen-3-yl\u03b2-d-glucopyranoside","Ingredient_formula": "C17H22O8","Ingredient_Smile": "COC1=C(C2=C(C=C1CC=C)OCO2)C3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31609;14367","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

biphenanthrene

NA

C28H18 (354.1408)


{"Ingredient_id": "HBIN018537","Ingredient_name": "biphenanthrene","Alias": "NA","Ingredient_formula": "C28H18","Ingredient_Smile": "C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=CC=CC5=C4C=CC6=CC=CC=C65","Ingredient_weight": "354.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2398","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21709721","DrugBank_id": "NA"}

   

methyl (8s)-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-9-en-4,6-diynoate

methyl (8s)-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-9-en-4,6-diynoate

C17H22O8 (354.1315)


   

[(2e)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

[(2e)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

C17H22O8 (354.1315)


   

(3ar,4r,5r,6s,6as,9s,9as,9br)-9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate

(3ar,4r,5r,6s,6as,9s,9as,9br)-9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate

C17H22O8 (354.1315)


   

[(1r,2e,8s,10r,11s)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

[(1r,2e,8s,10r,11s)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

C17H22O8 (354.1315)


   

n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}dodecanimidic acid

n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}dodecanimidic acid

C17H26N2O2S2 (354.1436)


   

(3as,4r,5r,6s,6as,9s,9as,9br)-9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate

(3as,4r,5r,6s,6as,9s,9as,9br)-9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate

C17H22O8 (354.1315)


   

(3ar,4r,5r,6s,6ar,9r,9as,9bs)-9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate

(3ar,4r,5r,6s,6ar,9r,9as,9bs)-9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate

C17H22O8 (354.1315)


   

(1r,2e,8s,10r,11s)-8,11-dihydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-10-yl acetate

(1r,2e,8s,10r,11s)-8,11-dihydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-10-yl acetate

C17H22O8 (354.1315)


   

(3s)-3-(3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3h-2-benzofuran-1-one

(3s)-3-(3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3h-2-benzofuran-1-one

C17H22O8 (354.1315)


   

(3as,4r,5r,6s,6ar,9r,9as,9bs)-9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate

(3as,4r,5r,6s,6ar,9r,9as,9bs)-9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate

C17H22O8 (354.1315)


   

9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate

9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate

C17H22O8 (354.1315)


   

methyl 10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-8-en-4,6-diynoate

methyl 10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-8-en-4,6-diynoate

C17H22O8 (354.1315)


   

5-methoxy-4,6-dimethyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3h-2-benzofuran-1-one

5-methoxy-4,6-dimethyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3h-2-benzofuran-1-one

C17H22O8 (354.1315)


   

3,9-dihydroxy-4,10,11-trimethoxy-7,8-dihydro-6λ⁵-azatetraphen-6-ylium

3,9-dihydroxy-4,10,11-trimethoxy-7,8-dihydro-6λ⁵-azatetraphen-6-ylium

[C20H20NO5]+ (354.1341)


   

8-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-naphthalen-1-one

8-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-naphthalen-1-one

C17H22O8 (354.1315)


   

methyl (8z)-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-8-en-4,6-diynoate

methyl (8z)-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-8-en-4,6-diynoate

C17H22O8 (354.1315)


   

1-(3-hydroxy-4-methoxybenzoyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium

1-(3-hydroxy-4-methoxybenzoyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium

[C20H20NO5]+ (354.1341)


   

[(1r,2e,8r,10r,11s)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

[(1r,2e,8r,10r,11s)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

C17H22O8 (354.1315)


   

(1s,2r,3s,6s,7r,8r,11s)-6,8-dihydroxy-3,7,11-trimethyl-4,13-dioxo-5,12-dioxatetracyclo[6.6.0.0¹,¹¹.0³,⁷]tetradecan-2-yl acetate

(1s,2r,3s,6s,7r,8r,11s)-6,8-dihydroxy-3,7,11-trimethyl-4,13-dioxo-5,12-dioxatetracyclo[6.6.0.0¹,¹¹.0³,⁷]tetradecan-2-yl acetate

C17H22O8 (354.1315)


   

(1's,2s,2'r,3's,7'r,9'r,10'r,11's)-3',10',11'-trihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate

(1's,2s,2'r,3's,7'r,9'r,10'r,11's)-3',10',11'-trihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate

C17H22O8 (354.1315)


   

5-methoxy-4,6-dimethyl-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3h-2-benzofuran-1-one

5-methoxy-4,6-dimethyl-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3h-2-benzofuran-1-one

C17H22O8 (354.1315)


   

(1'r,2r,2's,7's,9'r,10's,11'r)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate

(1'r,2r,2's,7's,9'r,10's,11'r)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate

C17H22O8 (354.1315)