Exact Mass: 546.3358442
Exact Mass Matches: 546.3358442
Found 500 metabolites which its exact mass value is equals to given mass value 546.3358442
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
UNC 0642
Dilauryl 3,3'-thiodipropionate
Dilauryl 3,3-thiodipropionate is a food and polymer antioxidant. Food and polymer antioxidant
Hovenidulcigenin B
Sapogenin from Hovenia dulcis (raisin tree). Sapogenin from Hovenia dulcis (raisin tree)
Anamorelin
2-(4,4-Difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine
Dodecanoic acid ingenol ester
3-Benzoyl-(3beta,5alpha,11alpha)-3,11-Dihydroxystigmasta-7,20-dien-6-one|Physanol A
7alpha-acetoxy-17alpha-20S-21,24-epoxy-apotirucall-14-en-3-one-23R,24S,25-triol
12-beta-acetoxycimigenol|12beta-acetoxycimigenol|12beta-O-acetylcimigenol
(3beta,12beta,23S,24R,25S)-16,23:23,26-diepoxy-12-acetoxy-3,24,25-trihydroxy-9,19-cycloartane|yunnanterpene C
7alpha-acetoxy-21S?,23R?-epoxy-21beta,24S?,25-trihydroxy-4,4,8-trimethyl-cholesta-14-en-3-one|brujavanone K
3beta-acetoxy-2beta,19alpha,23-trihydroxyurs-12-en-28-oic acid|meyanthic acid
(22R,24xi,28xi)-5beta,6beta-epoxy-22,28-oxido-24-methyl-5alpha-cholestan-3beta,25,28-triol-3,28-diacetate
N-[5-[[4-[4-[acetyl(hydroxy)amino]butylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxybutanediamide
Cys Ile Arg Arg
Cys Leu Arg Arg
Cys Arg Ile Arg
Cys Arg Leu Arg
Cys Arg Arg Ile
Cys Arg Arg Leu
Phe Lys Pro Arg
Phe Lys Arg Pro
Phe Pro Lys Arg
Phe Pro Arg Lys
Phe Arg Lys Pro
Phe Arg Pro Lys
Ile Cys Arg Arg
Ile Lys Met Arg
Ile Lys Arg Met
Ile Lys Thr Trp
Ile Lys Trp Thr
Ile Met Lys Arg
Ile Met Gln Arg
Ile Met Arg Lys
Ile Met Arg Gln
Ile Gln Met Arg
Ile Gln Arg Met
Ile Arg Cys Arg
Ile Arg Lys Met
Ile Arg Met Lys
Ile Arg Met Gln
Ile Arg Gln Met
Ile Arg Arg Cys
Ile Thr Lys Trp
Ile Thr Trp Lys
Ile Trp Lys Thr
Ile Trp Thr Lys
Lys Phe Pro Arg
Lys Phe Arg Pro
Lys Ile Met Arg
Lys Ile Arg Met
Lys Ile Thr Trp
Lys Ile Trp Thr
Lys Leu Met Arg
Lys Leu Arg Met
Lys Leu Thr Trp
Lys Leu Trp Thr
Lys Met Ile Arg
Lys Met Leu Arg
Lys Met Arg Ile
Lys Met Arg Leu
Lys Pro Phe Arg
Lys Pro Arg Phe
Lys Arg Phe Pro
Lys Arg Ile Met
Lys Arg Leu Met
Lys Arg Met Ile
Lys Arg Met Leu
Lys Arg Pro Phe
Lys Thr Ile Trp
Lys Thr Leu Trp
Lys Thr Trp Ile
Lys Thr Trp Leu
Lys Trp Ile Thr
Lys Trp Leu Thr
Lys Trp Thr Ile
Lys Trp Thr Leu
Leu Cys Arg Arg
Leu Lys Met Arg
Leu Lys Arg Met
Leu Lys Thr Trp
Leu Lys Trp Thr
Leu Met Lys Arg
Leu Met Gln Arg
Leu Met Arg Lys
Leu Met Arg Gln
Leu Gln Met Arg
Leu Gln Arg Met
Leu Arg Cys Arg
Leu Arg Lys Met
Leu Arg Met Lys
Leu Arg Met Gln
Leu Arg Gln Met
Leu Arg Arg Cys
Leu Thr Lys Trp
Leu Thr Trp Lys
Leu Trp Lys Thr
Leu Trp Thr Lys
Met Ile Lys Arg
Met Ile Gln Arg
Met Ile Arg Lys
Met Ile Arg Gln
Met Lys Ile Arg
Met Lys Leu Arg
Met Lys Arg Ile
Met Lys Arg Leu
Met Leu Lys Arg
Met Leu Gln Arg
Met Leu Arg Lys
Met Leu Arg Gln
Met Gln Ile Arg
Met Gln Leu Arg
Met Gln Arg Ile
Met Gln Arg Leu
Met Arg Ile Lys
Met Arg Ile Gln
Met Arg Lys Ile
Met Arg Lys Leu
Met Arg Leu Lys
Met Arg Leu Gln
Met Arg Gln Ile
Met Arg Gln Leu
Pro Phe Lys Arg
Pro Phe Arg Lys
Pro Lys Phe Arg
Pro Lys Arg Phe
Pro Arg Phe Lys
Pro Arg Lys Phe
Gln Ile Met Arg
Gln Ile Arg Met
Gln Leu Met Arg
Gln Leu Arg Met
Gln Met Ile Arg
Gln Met Leu Arg
Gln Met Arg Ile
Gln Met Arg Leu
Gln Arg Ile Met
Gln Arg Leu Met
Gln Arg Met Ile
Gln Arg Met Leu
Arg Cys Ile Arg
Arg Cys Leu Arg
Arg Cys Arg Ile
Arg Cys Arg Leu
Arg Phe Lys Pro
Arg Phe Pro Lys
Arg Ile Cys Arg
Arg Ile Lys Met
Arg Ile Met Lys
Arg Ile Met Gln
Arg Ile Gln Met
Arg Ile Arg Cys
Arg Lys Phe Pro
Arg Lys Ile Met
Arg Lys Leu Met
Arg Lys Met Ile
Arg Lys Met Leu
Arg Lys Pro Phe
Arg Leu Cys Arg
Arg Leu Lys Met
Arg Leu Met Lys
Arg Leu Met Gln
Arg Leu Gln Met
Arg Leu Arg Cys
Arg Met Ile Lys
Arg Met Ile Gln
Arg Met Lys Ile
Arg Met Lys Leu
Arg Met Leu Lys
Arg Met Leu Gln
Arg Met Gln Ile
Arg Met Gln Leu
Arg Pro Phe Lys
Arg Pro Lys Phe
Arg Gln Ile Met
Arg Gln Leu Met
Arg Gln Met Ile
Arg Gln Met Leu
Arg Arg Cys Ile
Arg Arg Cys Leu
Arg Arg Ile Cys
Arg Arg Leu Cys
Thr Ile Lys Trp
Thr Ile Trp Lys
Thr Lys Ile Trp
Thr Lys Leu Trp
Thr Lys Trp Ile
Thr Lys Trp Leu
Thr Leu Lys Trp
Thr Leu Trp Lys
Thr Trp Ile Lys
Thr Trp Lys Ile
Thr Trp Lys Leu
Thr Trp Leu Lys
Trp Ile Lys Thr
Trp Ile Thr Lys
Trp Lys Ile Thr
Trp Lys Leu Thr
Trp Lys Thr Ile
Trp Lys Thr Leu
Trp Leu Lys Thr
Trp Leu Thr Lys
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Trp Thr Leu Lys
16-Glutaryloxy-1α,25-dihydroxyvitamin D3
16-Glutaryloxy-1α,25-dihydroxy-20-epivitamin D3
Hovenidulcigenin B
Combretic acid C
16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3
16-Glutaryloxy-1alpha,25-dihydroxy-20-epivitamin D3
Phytyl 2-O-methyl-dimethylarsinoylribose
hexanedioic acid,[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (E)-octadec-9-enoate
TERT-BUTYL ((2S,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)CARBAMATE
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.
(2R)-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2R)-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2R)-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2S)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2R)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2S)-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2R)-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
(2S)-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2S)-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2R)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2R)-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2S)-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
(2S)-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
2,3-dihydroxypropyl [3-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoxy]-2-hydroxypropyl] hydrogen phosphate
(2-hydroxy-3-phosphonooxypropyl) (15Z,18Z)-hexacosa-15,18-dienoate
[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
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z)-henicosa-11,14-dienoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (13Z,16Z)-docosa-13,16-dienoate
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-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]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
BisMePA(24:2)
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1-(3,7-dimethylocta-2,6-dien-1-yl)-3,6,8-trihydroxy-2-methoxy-4,7-bis(3-methylbut-2-en-1-yl)xanthen-9-one
(2s,3r,4s,5r,6r)-2-{[(1s,1ar,4r,4as,7r,7as,7bs)-1,4,7-trimethyl-1-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-1ah-cyclopropa[e]azulen-4-yl]oxy}-6-methyloxane-3,4,5-triol
(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
(2s,3r,4s,5r,6r)-2-({2-[(2r,4as,7s)-4a-methyl-8-methylidene-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydronaphthalen-2-yl]propan-2-yl}oxy)-6-methyloxane-3,4,5-triol
undecyl 3-{4-[3-oxo-3-(undecyloxy)propyl]-1,2,3,4-dithiadiazetidin-3-yl}propanoate
4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol
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
(2e,4e,6e)-9-{[(2s,3r)-4-{[(3e,5e)-1,7-dihydroxy-4-methylhexadeca-3,5-dien-1-ylidene]amino}-1,3-dihydroxy-2-methylbutylidene]amino}nona-2,4,6-trienoic acid
C31H50N2O6 (546.3668680000001)
methyl (2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate
(1s)-1-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,8-dihydroxy-6-methoxy-1,5-bis(3-methylbut-2-en-1-yl)xanthene-2,9-dione
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
(1r,3s,5s,6ar,7s,8s,10r,10as)-1-(acetyloxy)-3-(butanoyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2s)-2-methylbutanoate
1-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,6,8-trihydroxy-2-methoxy-4,7-bis(3-methylbut-2-en-1-yl)xanthen-9-one
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
1-o-gluco-2-o-gadoleic-glyceride
{"Ingredient_id": "HBIN002914","Ingredient_name": "1-o-gluco-2-o-gadoleic-glyceride","Alias": "NA","Ingredient_formula": "C29H54O9","Ingredient_Smile": "CCCCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8596","TCMSP_id": "NA","TCM_ID_id": "21368","PubChem_id": "NA","DrugBank_id": "NA"}
2alpha,5alpha,10beta-triacetoxy-14beta-(2-methyl)butyryloxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN005241","Ingredient_name": "2alpha,5alpha,10beta-triacetoxy-14beta-(2-methyl)butyryloxytaxa-4(20),11-diene","Alias": "NA","Ingredient_formula": "C31H46O8","Ingredient_Smile": "CCC(C)C(=O)OC1CC(=C2C(CC3(CCC(C(=C)C3C(C1C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32090","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,5α,10β-triacetoxy-14β-((s)2-methyl)butyryl-oxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN005244","Ingredient_name": "2\u03b1,5\u03b1,10\u03b2-triacetoxy-14\u03b2-((s)2-methyl)butyryl-oxytaxa-4(20),11-diene","Alias": "NA","Ingredient_formula": "C31H46O8","Ingredient_Smile": "CCC(C)C(=O)OC1CC(=C2C(CC3(CCC(C(=C)C3C(C1C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21513","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,10belta-triacetory-4(20),11-taxadiene
{"Ingredient_id": "HBIN005272","Ingredient_name": "2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,10belta-triacetory-4(20),11-taxadiene","Alias": "NA","Ingredient_formula": "C31H46O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25519","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α-(α-methylbutyryl)-oxy-5α,7β,10β-triacetoxy-4(20),11-taxadiene
{"Ingredient_id": "HBIN005274","Ingredient_name": "2\u03b1-(\u03b1-methylbutyryl)-oxy-5\u03b1,7\u03b2,10\u03b2-triacetoxy-4(20),11-taxadiene","Alias": "NA","Ingredient_formula": "C31H46O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14192","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acinospesigenin c
{"Ingredient_id": "HBIN014558","Ingredient_name": "acinospesigenin c","Alias": "NA","Ingredient_formula": "C31H46O8","Ingredient_Smile": "CC1(CCC2(CCC3(C(=CC(C4C3(CCC5C4(CC(C(C5(C)C=O)O)O)C)C)O)C2C1)C)C(=O)O)C(=O)OC","Ingredient_weight": "546.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14172","TCMID_id": "548","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21581817","DrugBank_id": "NA"}
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
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
(1s,4s,7r,8s,11s,14r,15s,18s,21r)-4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol
(1's,2r,2's,4's,7's,8'r,9's,12's,13's,14's,15'r,16'r,18's)-14'-(acetyloxy)-16',18'-dihydroxy-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-yl acetate
methyl (2s,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate
4-[(3s,4ar,6ar,6bs,9s,10ar,11as,11bs)-3-{[(2r,3r,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6b-hydroxy-10a,11b-dimethyl-10-methylidene-dodecahydro-1h-cyclohexa[a]fluoren-9-yl]-5h-furan-2-one
(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
(2s,4ar,6as,6br,8as,9r,10r,11s,12as,12br,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1h-picene-4a-carboxylic acid
(1r,2r,3r,6e,8s,10e,12e,15r,16z,18s,19s)-15-hydroxy-3-[(1e,3r,4s)-4-hydroxy-3-methoxypent-1-en-1-yl]-19-methoxy-2,6,8,10,16-pentamethyl-4,21-dioxabicyclo[16.2.1]henicosa-6,10,12,16-tetraene-5,9-dione
(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
(2e,4e,6e)-9-{[(2s,3r)-4-{[(3e,5e,7s)-1,7-dihydroxy-4-methylhexadeca-3,5-dien-1-ylidene]amino}-1,3-dihydroxy-2-methylbutylidene]amino}nona-2,4,6-trienoic acid
C31H50N2O6 (546.3668680000001)
(1r,3s,5s,6ar,7s,8s,10r,10ar)-1-(acetyloxy)-3-(butanoyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate
methyl (2r,6s)-6-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate
(2s,4ar,6as,6br,8ar,9s,10r,11s,12as,12br,13r,14br)-9-formyl-10,11,13-trihydroxy-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
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
methyl (2r,6s)-6-[(1r,3ar,4s,5as,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate
(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,4s,8s,11s,15s,18s)-4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol
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
2-[2-(2-hydroxypropan-2-yl)-5-methoxy-4a,10a-dimethyl-6,9-dioxo-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
methyl 2-methyl-4-oxo-6-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoate
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
{2-[2-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)ethyl]-8-(2,5-dihydroxyphenyl)-6-methylocta-1,6-dien-1-yl}oxysulfonic acid
5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,10a-dimethyl-8-(4-methyl-3-oxohexan-2-yl)-9-(2-oxopropyl)-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-6-one
(2s,3r,4s)-2-[(2r,4ar,4bs,5s,10as,12ar)-2-(2-hydroxypropan-2-yl)-5-methoxy-4a,10a-dimethyl-6,9-dioxo-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
(1s,2s,3s,5s,8s,10s,14s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl (2s)-2-methylbutanoate
[(1z,6e)-2-{2-[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl}-8-(2,5-dihydroxyphenyl)-6-methylocta-1,6-dien-1-yl]oxysulfonic acid
(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
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
4-{3a-hydroxy-7-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-3h,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
(2s,4ar,6as,6br,8ar,9s,10r,11s,12as,12br,13r,14bs)-9-formyl-10,11,13-trihydroxy-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
[(2s)-5-oxo-1,4-dioxacyclotricosan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
13-(acetyloxy)-1,7-dihydroxy-6,10,14-trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)-3-oxo-17-oxatetracyclo[12.2.1.0²,¹¹.0⁵,¹⁰]heptadec-2(11)-ene-6-carboxylic acid
9-({4-[(1,7-dihydroxy-4-methylhexadeca-3,5-dien-1-ylidene)amino]-1,3-dihydroxy-2-methylbutylidene}amino)nona-2,4,6-trienoic acid
C31H50N2O6 (546.3668680000001)
(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
(2r,4ar,4bs,5s,9s,10ar,12ar)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,10a-dimethyl-8-[(2s,4s)-4-methyl-3-oxohexan-2-yl]-9-(2-oxopropyl)-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-6-one
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
methyl (6r)-6-[(1r,3ar,4s,5ar,7s,9as,11r,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate
(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
methyl (6r)-6-[(1r,3ar,4s,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxoheptanoate
10,11-dihydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1h-picene-4a-carboxylic acid
1-(5-ethyl-6-methylhept-1-en-2-yl)-10-hydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,3ah,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl benzoate
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
1-(acetyloxy)-3-(butanoyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate
(3s)-3-[(2s)-1-[(2s)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]-3-{[(2s)-2-({1-hydroxy-2-[(1-hydroxy-2-methylpropylidene)amino]ethylidene}amino)-3-phenylpropanoyl]oxy}propanoic acid
C28H42N4O7 (546.3053342000001)