Exact Mass: 546.3471

UNC 0642

2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C29H44F2N6O2 (546.3494)

Hovenidulcigenin B

3-{7-hydroxy-4b,8,8,10a-tetramethyl-5-oxo-dodecahydro-2H-spiro[oxolane-3,1-phenanthrene]-2-yl}-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetic acid

Sapogenin from Hovenia dulcis (raisin tree). Sapogenin from Hovenia dulcis (raisin tree)

2-(4,4-Difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine

C29H44F2N6O2 (546.3494)

Dodecanoic acid ingenol ester

Dodecanoic acid, (1aR,2S,5R,5aR,6S,8aS,9R,10aS)-1,1a,2,5,5a,6,9,10-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-10aH-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-10a-yl ester

(3beta,12beta,23S,24R,25S)-16,23:23,26-diepoxy-12-acetoxy-3,24,25-trihydroxy-9,19-cycloartane|yunnanterpene C

pouogenin E

A natural product found in Lipastrotethya species.

7alpha-acetoxy-21S?,23R?-epoxy-21beta,24S?,25-trihydroxy-4,4,8-trimethyl-cholesta-14-en-3-one|brujavanone K

24-O-acetyl-7(8)-en-hydroshengmanol

3beta-acetoxy-2beta,19alpha,23-trihydroxyurs-12-en-28-oic acid|meyanthic acid

Di-Me ester-Cordepressic acid

Hippurin 2

Alizexol B

methyl musancropate B

C32H50O7

(22R,24xi,28xi)-5beta,6beta-epoxy-22,28-oxido-24-methyl-5alpha-cholestan-3beta,25,28-triol-3,28-diacetate

methyl musancropate A

16β-Hydroperoxyalisol B 23-acetate

16beta-Hydroperoxyalisol B 23-acetate

N-[5-[[4-[4-[acetyl(hydroxy)amino]butylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxybutanediamide

C24H46N6O8 (546.3377)

desferrioxamine A1

C24H46N6O8 (546.3377)

16-Glutaryloxy-1α,25-dihydroxyvitamin D3

(5Z,7E)-(1S,3R,16R)-16-glutaryloxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

16-Glutaryloxy-1α,25-dihydroxy-20-epivitamin D3

(5Z,7E)-(1S,3R,16R,20S)-16-glutaryloxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

Hovenidulcigenin B

3-{7-hydroxy-4b,8,8,10a-tetramethyl-5-oxo-dodecahydro-2H-spiro[oxolane-3,1-phenanthrene]-2-yl}-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetate

Combretic acid C

25-hydroperoxy-7beta-acetoxy,3beta-hydroxy-9beta,19-cyclo-lanost-23E-en-28-oic acid

16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3

(5Z,7E)-(1S,3R,16R)-16-glutaryloxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

16-Glutaryloxy-1alpha,25-dihydroxy-20-epivitamin D3

(5Z,7E)-(1S,3R,16R,20S)-16-glutaryloxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

2,2-BIS(DICYCLOHEXYLPHOSPHINO)-1,1-BIPHENYL

C36H52P2 (546.3544)

2-[hydroxy-[(2R)-2-hydroxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[(2R)-2-hydroxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

3-O-(alpha-L-oleandrosyl)erythronolide B

A macrolide that is erythronolide B having a 2,6-dideoxy-3-O-methyl-alpha-Larabino-hexopyranosyl (alpha-L-oleandrosyl) residue attached at position 3.

PE-Cer 13:2;2O/12:1;O

C27H51N2O7P (546.3434)

PE-Cer 12:2;2O/13:1;O

C27H51N2O7P (546.3434)

[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-hexadec-9-enoate

[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-heptadec-9-enoate

[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-tetradec-9-enoate

[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-tridec-9-enoate

[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-pentadec-9-enoate

2-[hydroxy-[(2R)-2-hydroxy-3-[(8E,11E,14E)-icosa-8,11,14-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[3-hydroxy-2-[(4Z,7Z,10Z)-icosa-4,7,10-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[(2R)-2-hydroxy-3-[(5E,8E,11E)-icosa-5,8,11-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[[2-acetyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[2-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[[2-butanoyloxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

3-O-alpha-mycarosylerythronolide B

MGGA 19:1

ST 26:2;O;GlcA

ST 26:3;O2;Hex

(1r,4s,5s,7r,10r,11s,14r,16e,18e,21r,22r,23s,24s)-7,23-dihydroxy-11-isopropyl-4,10,14,16,22,24-hexamethyl-12,25,26-trioxatricyclo[19.3.1.1¹,⁵]hexacosa-2,16,18-triene-9,13-dione

4,8a-dimethyl 2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

undecyl 3-{4-[3-oxo-3-(undecyloxy)propyl]-1,2,3,4-dithiadiazetidin-3-yl}propanoate

C28H54N2O4S2 (546.3525)

4,8a-dimethyl 2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

(1s,2r,5s,7s,9r,11s,12s,15r,16s)-15-[(1s)-1-[(2r,4s,5s)-5-(acetyloxy)-4-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl acetate

(1s,2r,5s,7s,9r,11s,12s,15r,16s)-15-[(1s)-1-[(2r,4s,5s)-5-(acetyloxy)-4-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl acetate

5-(3,9-dihydroxy-4,6,8,10-tetramethyl-11-oxotridec-6-en-2-yl)-12-ethyl-8,10-dimethyl-4,13-dioxabicyclo[8.2.1]trideca-1(12),7-diene-3,11-dione

4-hydroxy-1-[(7-methoxy-2-oxochromen-8-yl)oxy]-4-methylpentan-3-yl hexadecanoate

alizexol b

{"Ingredient_id": "HBIN015166","Ingredient_name": "alizexol b","Alias": "NA","Ingredient_formula": "C32H50O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14234","TCMID_id": "903","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

10-(acetyloxy)-1-(5,6-dimethylhept-3-en-2-yl)-4,7-dihydroxy-9a,11a-dimethyl-5-oxo-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

(3as,8as)-7-[(3ar,8ar)-1,8-dimethyl-2h,3h,8ah-pyrrolo[2,3-b]indol-3a-yl]-3a-[(3as,8ar)-1,8-dimethyl-2h,3h,8ah-pyrrolo[2,3-b]indol-3a-yl]-1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indole

C35H42N6 (546.3471)

2,7a-dimethyl (2s,3ar,5ar,5bs,7as,8s,10r,11r,11as,13ar,13br)-2,8,11-trihydroxy-3,3,5a,5b,10,11,13b-heptamethyl-1h,3ah,4h,5h,6h,7h,8h,9h,10h,11ah,13h,13ah-cyclopenta[a]chrysene-2,7a-dicarboxylate

(2s,3r,4r,4ar,6as,6br,8ar,10r,12ar,12br,14br)-10-(acetyloxy)-2,3-dihydroxy-2-(hydroxymethyl)-6a,6b,9,9,12a-pentamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picen-4-yl acetate

(2e,4e,8e)-n-[(1s,2r)-2-hydroxy-1-{[(3z,5s,8s,10s)-2,7,10-trihydroxy-5-methyl-1,6-diazacyclododeca-1,3,6-trien-8-yl]-c-hydroxycarbonimidoyl}propyl]tetradeca-2,4,8-trienimidic acid

C29H46N4O6 (546.3417)

(1s,2s,4s)-4-hydroxy-2-[(6r,7e)-6-hydroxy-10-[(1s,2s)-2-hydroxy-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]-3,8-dimethyl-9-oxodeca-3,7-dien-1-yl]-1,3,3-trimethylcyclohexyl acetate

5-[2-(acetyloxy)-2-[1-methyl-2-(6-methyl-5-methylideneheptan-2-yl)-5-oxocyclopentyl]ethyl]-2-hydroxy-1,4a-dimethyl-6-oxo-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,2r,3s,4r,7r,9s,12r,14r,16r,17r,18r,19r,21r,22s)-2,9-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl acetate

(1s,2r,3s,4r,7r,9s,12r,14r,16r,17r,18r,19r,21r,22s)-2,9-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl acetate

2,7a-dimethyl (2s,3ar,5ar,5bs,6s,7as,10r,11r,11as,13ar,13br)-2,6,11-trihydroxy-3,3,5a,5b,10,11,13b-heptamethyl-1h,3ah,4h,5h,6h,7h,8h,9h,10h,11ah,13h,13ah-cyclopenta[a]chrysene-2,7a-dicarboxylate

4,8a-dimethyl (2r,3r,4r,4ar,6ar,6bs,8ar,12r,12as,14ar,14br)-2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

1-{12,13-dihydroxy-6,8,14,19,19-pentamethyl-11,23-dioxahexacyclo[18.2.1.0¹,¹⁸.0³,¹⁵.0⁶,¹⁴.0⁷,¹²]tricos-3(15)-en-10-yl}-2-hydroxy-2-methylpropyl acetate

(1r,2r,3s,4r,7r,9s,12r,14r,16r,17r,18r,19r,21r,22s)-2,9-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-24-oxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl hydrogen carbonate

(1r,2r,3s,4r,7r,9s,12r,14r,16r,17r,18r,19r,21r,22s)-2,9-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-24-oxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl hydrogen carbonate

(1r,2s,3as,3bs,4r,5as,7s,9ar,9bs,10s,11as)-10-(acetyloxy)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4,7-dihydroxy-9a,11a-dimethyl-5-oxo-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

7-(acetyloxy)-1-(5,6-dimethylhept-3-en-2-yl)-4,10-dihydroxy-9a,11a-dimethyl-5-oxo-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

(3e,6r)-6-[(1r,2r,3as,3br,7r,8s,9as,9br,11ar)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate

(3e,6r)-6-[(1r,2r,3as,3br,7r,8s,9as,9br,11ar)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate

2,9-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl acetate

[(2s)-5-oxo-1,4-dioxacyclotricosan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(1s,4r,5r,6r,8r,10s,11r,12s,13r,16r,18s,21r)-8-[(2s)-3,3-dimethyloxiran-2-yl]-10,11,18-trihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan-8-yl acetate

(1s,4r,5r,6r,8r,10s,11r,12s,13r,16r,18s,21r)-8-[(2s)-3,3-dimethyloxiran-2-yl]-10,11,18-trihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan-8-yl acetate

8-(3,3-dimethyloxiran-2-yl)-10,11,18-trihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan-8-yl acetate

2,7a-dimethyl 2,8,11-trihydroxy-3,3,5a,5b,10,11,13b-heptamethyl-1h,3ah,4h,5h,6h,7h,8h,9h,10h,11ah,13h,13ah-cyclopenta[a]chrysene-2,7a-dicarboxylate

(1r,2s,3as,3bs,4r,5as,7s,9ar,9bs,10s,11as)-7-(acetyloxy)-1-[(3e)-5,6-dimethylhept-3-en-2-yl]-4,10-dihydroxy-9a,11a-dimethyl-5-oxo-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

n-[(6s,7s,8r,11r,12s,14r,15s,16r)-14-(acetyloxy)-7-formyl-7,12,16-trimethyl-15-[(1s)-1-(methylamino)ethyl]tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-6-yl]benzenecarboximidic acid

C34H46N2O4 (546.3457)

4,8a-dimethyl (2r,3r,4r,4ar,6ar,6bs,8as,11r,12r,12as,14ar,14br)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

3-o-α-mycarosylerythronolide b

(3e,6r)-6-[(1r,2r,3as,3br,7s,8s,9as,9br,11ar)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate

(3e,6r)-6-[(1r,2r,3as,3br,7s,8s,9as,9br,11ar)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate

n-[14-(acetyloxy)-7-formyl-7,12,16-trimethyl-15-[1-(methylamino)ethyl]tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-6-yl]benzenecarboximidic acid

C34H46N2O4 (546.3457)

2,7a-dimethyl 2,6,11-trihydroxy-3,3,5a,5b,10,11,13b-heptamethyl-1h,3ah,4h,5h,6h,7h,8h,9h,10h,11ah,13h,13ah-cyclopenta[a]chrysene-2,7a-dicarboxylate

(1r)-1-[(1s,6r,7r,8r,10r,12r,13r,14r,18s,20s)-12,13-dihydroxy-6,8,14,19,19-pentamethyl-11,23-dioxahexacyclo[18.2.1.0¹,¹⁸.0³,¹⁵.0⁶,¹⁴.0⁷,¹²]tricos-3(15)-en-10-yl]-2-hydroxy-2-methylpropyl acetate

(1r)-1-[(1s,6r,7r,8r,10r,12r,13r,14r,18s,20s)-12,13-dihydroxy-6,8,14,19,19-pentamethyl-11,23-dioxahexacyclo[18.2.1.0¹,¹⁸.0³,¹⁵.0⁶,¹⁴.0⁷,¹²]tricos-3(15)-en-10-yl]-2-hydroxy-2-methylpropyl acetate

(1r,3ar,5ar,7s,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1-[(2r)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate

14-ethyl-7-hydroxy-5-(7-hydroxy-4,6,8-trimethyl-9-oxoundec-4-en-2-yl)-6,10,12-trimethyl-4,15-dioxabicyclo[10.2.1]pentadeca-1(14),9-diene-3,13-dione

l-oleandrosyl-erythronolide b

(5-oxo-1,4-dioxacyclotricosan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

15-{1-[5-(acetyloxy)-4-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl}-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl acetate