Exact Mass: 592.2801

Exact Mass Matches: 592.2801

Found 97 metabolites which its exact mass value is equals to given mass value 592.2801, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Ajugamacrin B

Ajugamacrin B

C31H44O11 (592.2883)


   
   
   

Blepharocalyxin D

Blepharocalyxin D

C38H40O6 (592.2825)


   
   

3-O-Acetyl-adonitoxin, Adonitoxigenin-(3-O-acetyl-rhamnopyranosid)|3-O-Acetyl-adonitoxin, Adonitoxigenin-<3-O-acetyl-rhamnopyranosid>

3-O-Acetyl-adonitoxin, Adonitoxigenin-(3-O-acetyl-rhamnopyranosid)|3-O-Acetyl-adonitoxin, Adonitoxigenin-<3-O-acetyl-rhamnopyranosid>

C31H44O11 (592.2883)


   

3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxobufa-20,22-dienolide

3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxobufa-20,22-dienolide

C31H44O11 (592.2883)


   

Arguayoside|Taucidoside

Arguayoside|Taucidoside

C31H44O11 (592.2883)


   

Ajugamarin B2|ajugamarin B2 ((12S)-6alpha,12,19-triacetoxy-1beta-<(2S)-2-methylbutanoyloxy>-4,18-epoxyneo-clerod-13(14)-en-15,16-olide)|ajugamarin B2 [(12S)-6alpha,12,19-triacetoxy-1beta-((2S)-2-methylbutanoyloxy)-4,18-epoxyneo-clerod-13(14)-en-15,16-olide]

Ajugamarin B2|ajugamarin B2 ((12S)-6alpha,12,19-triacetoxy-1beta-<(2S)-2-methylbutanoyloxy>-4,18-epoxyneo-clerod-13(14)-en-15,16-olide)|ajugamarin B2 [(12S)-6alpha,12,19-triacetoxy-1beta-((2S)-2-methylbutanoyloxy)-4,18-epoxyneo-clerod-13(14)-en-15,16-olide]

C31H44O11 (592.2883)


   
   

15beta-hydroxycalactinic acid ethyl ester

15beta-hydroxycalactinic acid ethyl ester

C31H44O11 (592.2883)


   

1alpha-(alpha-methyl)-butanoyloxy-2alpha-(alpha-methyl)-propanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??-(??-Methyl)-butanoyl-2??-(??-methyl)-propynoyloxy-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran

1alpha-(alpha-methyl)-butanoyloxy-2alpha-(alpha-methyl)-propanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??-(??-Methyl)-butanoyl-2??-(??-methyl)-propynoyloxy-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran

C31H44O11 (592.2883)


   
   

Ser Glu Val Lys Met

Ser Glu Val Lys Met

C24H44N6O9S (592.289)


   

Tyr Pro Thr Val Asn

Tyr Pro Thr Val Asn

C27H40N6O9 (592.2857)


   

Dronedarone hydrochloride

Dronedarone hydrochloride

C31H45ClN2O5S (592.2738)


C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent

   

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C27H44O14 (592.2731)


   

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847345]

NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847345]

C27H44O14 (592.2731)


   

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]

NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]

C27H44O14 (592.2731)


   

Met Arg Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C26H40N8O6S (592.2791)


   

Met Arg Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C26H40N8O6S (592.2791)


   

Met Thr Arg Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C26H40N8O6S (592.2791)


   

Met Thr Trp Arg

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C26H40N8O6S (592.2791)


   

Met Trp Arg Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanoic acid

C26H40N8O6S (592.2791)


   

Met Trp Thr Arg

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanoic acid

C26H40N8O6S (592.2791)


   

Arg Met Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C26H40N8O6S (592.2791)


   

Arg Met Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C26H40N8O6S (592.2791)


   

Arg Thr Met Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C26H40N8O6S (592.2791)


   

Arg Thr Trp Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H40N8O6S (592.2791)


   

Arg Trp Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C26H40N8O6S (592.2791)


   

Arg Trp Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C26H40N8O6S (592.2791)


   

Thr Met Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C26H40N8O6S (592.2791)


   

Thr Met Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C26H40N8O6S (592.2791)


   

Thr Arg Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C26H40N8O6S (592.2791)


   

Thr Arg Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H40N8O6S (592.2791)


   

Thr Trp Met Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid

C26H40N8O6S (592.2791)


   

Thr Trp Arg Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic acid

C26H40N8O6S (592.2791)


   

Trp Met Arg Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanoic acid

C26H40N8O6S (592.2791)


   

Trp Met Thr Arg

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanoic acid

C26H40N8O6S (592.2791)


   

Trp Arg Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C26H40N8O6S (592.2791)


   

Trp Arg Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C26H40N8O6S (592.2791)


   

Trp Thr Met Arg

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid

C26H40N8O6S (592.2791)


   

Trp Thr Arg Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic acid

C26H40N8O6S (592.2791)


   

SEVKM

Ser-Glu-Val-Lys-Met

C24H44N6O9S (592.289)


   

YPTVN

Tyr Pro Thr Val Asn

C27H40N6O9 (592.2857)


   

3-(?-D-Glucopyranosyloxy)-4,6-dihydroxy-2-nonylphenyl ?-D-glucopyranoside

3-(?-D-Glucopyranosyloxy)-4,6-dihydroxy-2-nonylphenyl ?-D-glucopyranoside

C27H44O14 (592.2731)


   

4,4-Bis(9-ethyl-3-carbazovinylene)-1,1-biphenyl

4,4-Bis(9-ethyl-3-carbazovinylene)-1,1-biphenyl

C44H36N2 (592.2878)


   

Mal-amido-PEG8-acid

Mal-amido-PEG8-acid

C26H44N2O13 (592.2843)


   

(R)-3,3-Bis(2,4,6-trimethylphenyl)-5,5,6,6,7,7,8,8-octahydro-1,1-bi-2-naphthyl Hydrogen Phosphate

(R)-3,3-Bis(2,4,6-trimethylphenyl)-5,5,6,6,7,7,8,8-octahydro-1,1-bi-2-naphthyl Hydrogen Phosphate

C38H41O4P (592.2742)


   

Sparsentan

Sparsentan

C32H40N4O5S (592.2719)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist Sparsentan (RE-021) is a highly potent dual angiotensin II and endothelin A receptor antagonist with Kis of 0.8 and 9.3 nM, respectively[1].

   

Ulimorelin hydrochloride

Ulimorelin hydrochloride

C30H42ClFN4O5 (592.2828)


C78276 - Agent Affecting Digestive System or Metabolism

   

4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C29H41FN4O6S (592.2731)


   

4-(dimethylamino)-N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

4-(dimethylamino)-N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C29H41FN4O6S (592.2731)


   

4-(dimethylamino)-N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

4-(dimethylamino)-N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C29H41FN4O6S (592.2731)


   

4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C29H41FN4O6S (592.2731)


   

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C27H44O14 (592.2731)


   
   
   

PA 20:5/8:3;O

PA 20:5/8:3;O

C31H45O9P (592.2801)


   

PA 22:6/6:2;O

PA 22:6/6:2;O

C31H45O9P (592.2801)


   
   
   

ST 21:0;O8;GlcA

ST 21:0;O8;GlcA

C27H44O14 (592.2731)


   

ST 25:4;O5;GlcA

ST 25:4;O5;GlcA

C31H44O11 (592.2883)


   

ST 25:5;O6;Hex

ST 25:5;O6;Hex

C31H44O11 (592.2883)


   

(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

C31H44O11 (592.2883)


   

(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2s)-2-methylbutanoate

(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2s)-2-methylbutanoate

C31H44O11 (592.2883)


   

(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

C31H44O11 (592.2883)


   

4-{4-[2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl}phenol

4-{4-[2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl}phenol

C38H40O6 (592.2825)


   

(1s)-2-[(1s,4ar,5s,6s,8r,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate

(1s)-2-[(1s,4ar,5s,6s,8r,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate

C31H44O11 (592.2883)


   

[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate

[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutanoic acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-1-spiro[decalin-4,2'-oxirane]yl] ester; [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutyric acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-8-[(2S)-2-acetoxy-2-(5-keto-2H-furan-3-yl)ethyl]-4a-(acetoxymethyl)-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] ester

C31H44O11 (592.2883)


{"Ingredient_id": "HBIN003120","Ingredient_name": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate","Alias": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutanoic acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-1-spiro[decalin-4,2'-oxirane]yl] ester; [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutyric acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-8-[(2S)-2-acetoxy-2-(5-keto-2H-furan-3-yl)ethyl]-4a-(acetoxymethyl)-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] ester","Ingredient_formula": "C31H44O11","Ingredient_Smile": "NA","Ingredient_weight": "592.67","OB_score": "23.87206564","CAS_id": "121449-65-8","SymMap_id": "SMIT09131","TCMID_id": "NA","TCMSP_id": "MOL007754","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

ajugamacrin b

NA

C31H44O11 (592.2883)


{"Ingredient_id": "HBIN014974","Ingredient_name": "ajugamacrin b","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC(CC1(C(CC(C2(C1C(CCC23CO3)OC(=O)C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101370736","DrugBank_id": "NA"}

   

ajugamarin b2

NA

C31H44O11 (592.2883)


{"Ingredient_id": "HBIN014977","Ingredient_name": "ajugamarin b2","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C)COC(=O)C","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14208","TCMID_id": "803","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "180054","DrugBank_id": "NA"}

   

blepharocalyxin d

NA

C38H40O6 (592.2825)


{"Ingredient_id": "HBIN018650","Ingredient_name": "blepharocalyxin d","Alias": "NA","Ingredient_formula": "C38H40O6","Ingredient_Smile": "C1C(OC2CC(OC(C2C1C=CC3=CC=C(C=C3)O)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O)CCC6=CC=C(C=C6)O","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2499","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "9985898","DrugBank_id": "NA"}

   

(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate

(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate

C31H44O11 (592.2883)


   

7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C31H44O11 (592.2883)


   

2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate

2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate

C31H44O11 (592.2883)


   

2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate

2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate

C31H44O11 (592.2883)


   

(1s,2s,3r,4r,7s,8z,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate

(1s,2s,3r,4r,7s,8z,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate

C31H44O11 (592.2883)


   

(4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate

(4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate

C31H44O11 (592.2883)


   

(1s,2s,3r,4r,7s,8z,12s,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate

(1s,2s,3r,4r,7s,8z,12s,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate

C31H44O11 (592.2883)


   

(1r,2s,3s,4s,4ar,5s,6r,8s,8ar)-5-[(3as,6as)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-2-hydroxy-5,6-dimethyl-4-{[(2e)-2-methylbut-2-en-1-yl]oxy}-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate

(1r,2s,3s,4s,4ar,5s,6r,8s,8ar)-5-[(3as,6as)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-2-hydroxy-5,6-dimethyl-4-{[(2e)-2-methylbut-2-en-1-yl]oxy}-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate

C31H44O11 (592.2883)


   

(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2r)-2-methylbutanoate

(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2r)-2-methylbutanoate

C31H44O11 (592.2883)


   

(1r,2r,3r,4s,5s,7r,8r,9r,10r,11s,13s,15r)-2,4,7-tris(acetyloxy)-8,16-dihydroxy-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl (2e)-2-methylbut-2-enoate

(1r,2r,3r,4s,5s,7r,8r,9r,10r,11s,13s,15r)-2,4,7-tris(acetyloxy)-8,16-dihydroxy-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl (2e)-2-methylbut-2-enoate

C31H44O11 (592.2883)


   

(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate

(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate

C31H44O11 (592.2883)


   

(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C31H44O11 (592.2883)


   

2-[4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate

2-[4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate

C31H44O11 (592.2883)


   

(1r,2r,3r,4s,7r,8z,12r,13r,14s,15r)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

(1r,2r,3r,4s,7r,8z,12r,13r,14s,15r)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

C31H44O11 (592.2883)


   

2-{[9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate

2-{[9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate

C31H44O11 (592.2883)


   

4-[(2s,4r,4ar,5r,7s,8as)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl]phenol

4-[(2s,4r,4ar,5r,7s,8as)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl]phenol

C38H40O6 (592.2825)


   

8-(acetyloxy)-5-[2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate

8-(acetyloxy)-5-[2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate

C31H44O11 (592.2883)


   

4-[(2s,4s,4as,5s,7s,8ar)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl]phenol

4-[(2s,4s,4as,5s,7s,8ar)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl]phenol

C38H40O6 (592.2825)


   

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-1,7-dimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-1ah-cyclopropa[e]azulene-1-carboxylate

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-1,7-dimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-1ah-cyclopropa[e]azulene-1-carboxylate

C27H44O14 (592.2731)


   

2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate

2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate

C31H44O11 (592.2883)


   

(2s,3r,4r,5s,6s)-2-{[(1r,2r,3as,3br,5ar,7s,9ar,9bs,11ar)-9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate

(2s,3r,4r,5s,6s)-2-{[(1r,2r,3as,3br,5ar,7s,9ar,9bs,11ar)-9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate

C31H44O11 (592.2883)


   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,1ar,4s,4as,7r,7as,7bs)-4-hydroxy-1,7-dimethyl-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-1ah-cyclopropa[e]azulene-1-carboxylate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,1ar,4s,4as,7r,7as,7bs)-4-hydroxy-1,7-dimethyl-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-1ah-cyclopropa[e]azulene-1-carboxylate

C27H44O14 (592.2731)