Exact Mass: 562.3188102
Exact Mass Matches: 562.3188102
Found 500 metabolites which its exact mass value is equals to given mass value 562.3188102
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Naquotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Cucurbitacin IIa
Apomine
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Pinometostat
Tandutinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Cuc IIa
Cucurbitacin IIa is a natural product found in Hemsleya pengxianensis with data available. Cucurbitacin IIa is a triterpene isolated from Hemsleya amalils Diels, induces apoptosis of cancer cells, reduces expression of survivin, reduces phospho-Histone H3 and increases cleaved PARP in cancer cells[1]. Cucurbitacin IIa is a triterpene isolated from Hemsleya amalils Diels, induces apoptosis of cancer cells, reduces expression of survivin, reduces phospho-Histone H3 and increases cleaved PARP in cancer cells[1].
Caseanigrescen C
A diterpenoid of the clerodane group isolated from the leaves and flowers of Casearia nigrescens. It exhibits cytotoxicity against A2780 human ovarian cancer cell line. Caseanigrescen C is a diterpenoid of the clerodane group isolated from the leaves and flowers of Casearia nigrescens. It exhibits cytotoxicity against A2780 human ovarian cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is an acetate ester, a butyrate ester, a cyclic ether, a diterpenoid, an organic heterotricyclic compound and a secondary alcohol.
(1R,3aR,3bS,4aR,6S,7S,7aR,8R,8aR,9aR)-1,4a,8-tris(acetyloxy)-2,2,3b,6,8a-pentamethyl-4,9-dioxo-tetradecahydro-1H-cyclopenta[a]s-indacen-7-yl butanoate
15,17-di-O-acetyl-3-O-cinnamoyl-17-hydroxyjolkinol
3-O-beta-D-Rhamnopyranoside-3,8,12,14-Tetrahydroxybufa-4,20,22-trienolide
[5-hydroxy-1,1-dimethyl-4-oxo-5-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hexyl] acetate
3-O-beta-D-Glucopyranoside-3,14,16-Trohydroxybufa-4,20,22-trienolide
(24E)-5alpha-cholest-24-ene-3beta,4beta,6alpha,8,14,15alpha,26-heptaol 15-O-sulfate
4,5-dihydrogaldamycin|4,5-Dihydrogeldanamycin|geldanamycin
18-ethyloxy-17-hydroxy-17,18-dihydroscrobiculatone B
26-Sulfate-(3beta,5alpha,6beta,15alpha,16beta,24R,25S)-Ergostane-3,5,6,15,26-hexol
3-O-beta-D-glucopyranosylalbicanol-11-O-beta-D-glucopyranoside
18-ethyloxy-17-hydroxy-17,18-dihydroscrobiculatone A
28-Sulfate-(3beta,5alpha,6beta,15alpha,24R)-Ergostane-3,5,6,15,24,28-hexol
Ile Phe Arg Lys
C27H46N8O5 (562.3590985999999)
Arg Ile Phe Lys
C27H46N8O5 (562.3590985999999)
Ile Gln Phe Arg
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.0²,⁴.0⁶,¹⁰.0¹⁴,¹⁶]hexadec-8-en-14-yl dodecanoate
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based on: CCMSLIB00000848395]
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based: Match]
(2S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-2,7,12-triyl triacetate
(3R,5R,6R,7S,9S,10R,13R,17R)-17-((R)-5-ethoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
Glu Lys Met Arg
Glu Lys Arg Met
Glu Met Lys Arg
Glu Met Arg Lys
Glu Arg Lys Met
Glu Arg Met Lys
Phe Phe His Ile
C30H38N6O5 (562.2903537999999)
Phe Phe His Leu
C30H38N6O5 (562.2903537999999)
Phe Phe Ile His
C30H38N6O5 (562.2903537999999)
Phe Phe Leu His
C30H38N6O5 (562.2903537999999)
Phe His Phe Ile
C30H38N6O5 (562.2903537999999)
Phe His Phe Leu
C30H38N6O5 (562.2903537999999)
Phe His Ile Phe
C30H38N6O5 (562.2903537999999)
Phe His Leu Phe
C30H38N6O5 (562.2903537999999)
Phe Ile Phe His
C30H38N6O5 (562.2903537999999)
Phe Ile His Phe
C30H38N6O5 (562.2903537999999)
Phe Ile Lys Arg
C27H46N8O5 (562.3590985999999)
Phe Ile Gln Arg
Phe Ile Arg Lys
C27H46N8O5 (562.3590985999999)
Phe Ile Arg Gln
Phe Lys Ile Arg
C27H46N8O5 (562.3590985999999)
Phe Lys Leu Arg
C27H46N8O5 (562.3590985999999)
Phe Lys Arg Ile
C27H46N8O5 (562.3590985999999)
Phe Lys Arg Leu
C27H46N8O5 (562.3590985999999)
Phe Leu Phe His
C30H38N6O5 (562.2903537999999)
Phe Leu His Phe
C30H38N6O5 (562.2903537999999)
Phe Leu Lys Arg
C27H46N8O5 (562.3590985999999)
Phe Leu Gln Arg
Phe Leu Arg Lys
C27H46N8O5 (562.3590985999999)
Phe Leu Arg Gln
Phe Gln Ile Arg
Phe Gln Leu Arg
Phe Gln Arg Ile
Phe Gln Arg Leu
Phe Arg Ile Lys
C27H46N8O5 (562.3590985999999)
Phe Arg Ile Gln
Phe Arg Lys Ile
C27H46N8O5 (562.3590985999999)
Phe Arg Lys Leu
C27H46N8O5 (562.3590985999999)
Phe Arg Leu Lys
C27H46N8O5 (562.3590985999999)
Phe Arg Leu Gln
Phe Arg Gln Ile
Phe Arg Gln Leu
His Phe Phe Ile
C30H38N6O5 (562.2903537999999)
His Phe Phe Leu
C30H38N6O5 (562.2903537999999)
His Phe Ile Phe
C30H38N6O5 (562.2903537999999)
His Phe Leu Phe
C30H38N6O5 (562.2903537999999)
His Ile Phe Phe
C30H38N6O5 (562.2903537999999)
His Leu Phe Phe
C30H38N6O5 (562.2903537999999)
Ile Phe Phe His
C30H38N6O5 (562.2903537999999)
Ile Phe His Phe
C30H38N6O5 (562.2903537999999)
Ile Phe Lys Arg
C27H46N8O5 (562.3590985999999)
Ile Phe Gln Arg
Ile Phe Arg Gln
Ile His Phe Phe
C30H38N6O5 (562.2903537999999)
Ile Lys Phe Arg
C27H46N8O5 (562.3590985999999)
Ile Lys Arg Phe
C27H46N8O5 (562.3590985999999)
Ile Gln Arg Phe
Ile Arg Phe Lys
C27H46N8O5 (562.3590985999999)
Ile Arg Phe Gln
Ile Arg Lys Phe
C27H46N8O5 (562.3590985999999)
Ile Arg Gln Phe
Lys Glu Met Arg
Lys Glu Arg Met
Lys Phe Ile Arg
C27H46N8O5 (562.3590985999999)
Lys Phe Leu Arg
C27H46N8O5 (562.3590985999999)
Lys Phe Arg Ile
C27H46N8O5 (562.3590985999999)
Lys Phe Arg Leu
C27H46N8O5 (562.3590985999999)
Lys Ile Phe Arg
C27H46N8O5 (562.3590985999999)
Lys Ile Arg Phe
C27H46N8O5 (562.3590985999999)
Lys Leu Phe Arg
C27H46N8O5 (562.3590985999999)
Lys Leu Arg Phe
C27H46N8O5 (562.3590985999999)
Lys Met Glu Arg
Lys Met Arg Glu
Lys Met Val Trp
Lys Met Trp Val
Lys Pro Arg Tyr
Lys Pro Tyr Arg
Lys Arg Glu Met
Lys Arg Phe Ile
C27H46N8O5 (562.3590985999999)
Lys Arg Phe Leu
C27H46N8O5 (562.3590985999999)
Lys Arg Ile Phe
C27H46N8O5 (562.3590985999999)
Lys Arg Leu Phe
C27H46N8O5 (562.3590985999999)
Lys Arg Met Glu
Lys Arg Pro Tyr
Lys Arg Tyr Pro
Lys Val Met Trp
Lys Val Trp Met
Lys Trp Met Val
Lys Trp Val Met
Lys Tyr Pro Arg
Lys Tyr Arg Pro
Leu Phe Phe His
C30H38N6O5 (562.2903537999999)
Leu Phe His Phe
C30H38N6O5 (562.2903537999999)
Leu Phe Lys Arg
C27H46N8O5 (562.3590985999999)
Leu Phe Gln Arg
Leu Phe Arg Lys
C27H46N8O5 (562.3590985999999)
Leu Phe Arg Gln
Leu His Phe Phe
C30H38N6O5 (562.2903537999999)
Leu Lys Phe Arg
C27H46N8O5 (562.3590985999999)
Leu Lys Arg Phe
C27H46N8O5 (562.3590985999999)
Leu Gln Phe Arg
Leu Gln Arg Phe
Leu Arg Phe Lys
C27H46N8O5 (562.3590985999999)
Leu Arg Phe Gln
Leu Arg Lys Phe
C27H46N8O5 (562.3590985999999)
Leu Arg Gln Phe
Met Glu Lys Arg
Met Glu Arg Lys
Met Lys Glu Arg
Met Lys Arg Glu
Met Lys Val Trp
Met Lys Trp Val
Met Arg Glu Lys
Met Arg Lys Glu
Met Arg Arg Thr
C21H42N10O6S (562.3009352000001)
Met Arg Thr Arg
C21H42N10O6S (562.3009352000001)
Met Thr Arg Arg
C21H42N10O6S (562.3009352000001)
Met Val Lys Trp
Met Val Trp Lys
Met Trp Lys Val
Met Trp Val Lys
Pro Lys Arg Tyr
Pro Lys Tyr Arg
Pro Gln Arg Tyr
Pro Gln Tyr Arg
Pro Arg Lys Tyr
Pro Arg Gln Tyr
Pro Arg Tyr Lys
Pro Arg Tyr Gln
Pro Tyr Lys Arg
Pro Tyr Gln Arg
Pro Tyr Arg Lys
Pro Tyr Arg Gln
Gln Phe Ile Arg
Gln Phe Leu Arg
Gln Phe Arg Ile
Gln Phe Arg Leu
Gln Ile Phe Arg
Gln Ile Arg Phe
Gln Leu Phe Arg
Gln Leu Arg Phe
Gln Pro Arg Tyr
Gln Pro Tyr Arg
Gln Arg Phe Ile
Gln Arg Phe Leu
Gln Arg Ile Phe
Gln Arg Leu Phe
Gln Arg Pro Tyr
Gln Arg Tyr Pro
Gln Tyr Pro Arg
Gln Tyr Arg Pro
Arg Glu Lys Met
Arg Glu Met Lys
Arg Phe Ile Lys
C27H46N8O5 (562.3590985999999)
Arg Phe Ile Gln
Arg Phe Lys Ile
C27H46N8O5 (562.3590985999999)
Arg Phe Lys Leu
C27H46N8O5 (562.3590985999999)
Arg Phe Leu Lys
C27H46N8O5 (562.3590985999999)
Arg Phe Leu Gln
Arg Phe Gln Ile
Arg Phe Gln Leu
Arg Ile Phe Gln
Arg Ile Lys Phe
C27H46N8O5 (562.3590985999999)
Arg Ile Gln Phe
Arg Lys Glu Met
Arg Lys Phe Ile
C27H46N8O5 (562.3590985999999)
Arg Lys Phe Leu
C27H46N8O5 (562.3590985999999)
Arg Lys Ile Phe
C27H46N8O5 (562.3590985999999)
Arg Lys Leu Phe
C27H46N8O5 (562.3590985999999)
Arg Lys Met Glu
Arg Lys Pro Tyr
Arg Lys Tyr Pro
Arg Leu Phe Lys
C27H46N8O5 (562.3590985999999)
Arg Leu Phe Gln
Arg Leu Lys Phe
C27H46N8O5 (562.3590985999999)
Arg Leu Gln Phe
Arg Met Glu Lys
Arg Met Lys Glu
Arg Met Arg Thr
C21H42N10O6S (562.3009352000001)
Arg Met Thr Arg
C21H42N10O6S (562.3009352000001)
Arg Pro Lys Tyr
Arg Pro Gln Tyr
Arg Pro Tyr Lys
Arg Pro Tyr Gln
Arg Gln Phe Ile
Arg Gln Phe Leu
Arg Gln Ile Phe
Arg Gln Leu Phe
Arg Gln Pro Tyr
Arg Gln Tyr Pro
Arg Arg Met Thr
C21H42N10O6S (562.3009352000001)
Arg Arg Thr Met
C21H42N10O6S (562.3009352000001)
Arg Thr Met Arg
C21H42N10O6S (562.3009352000001)
Arg Thr Arg Met
C21H42N10O6S (562.3009352000001)
Arg Thr Thr Trp
Arg Thr Trp Thr
Arg Trp Thr Thr
Arg Tyr Lys Pro
Arg Tyr Pro Lys
Arg Tyr Pro Gln
Arg Tyr Gln Pro
Thr Met Arg Arg
C21H42N10O6S (562.3009352000001)
Thr Arg Met Arg
C21H42N10O6S (562.3009352000001)
Thr Arg Arg Met
C21H42N10O6S (562.3009352000001)
Thr Arg Thr Trp
Thr Arg Trp Thr
Thr Thr Arg Trp
Thr Thr Trp Arg
Thr Trp Arg Thr
Thr Trp Thr Arg
Val Lys Met Trp
Val Lys Trp Met
Val Met Lys Trp
Val Met Trp Lys
Val Trp Lys Met
Val Trp Met Lys
Trp Lys Met Val
Trp Lys Val Met
Trp Met Lys Val
Trp Met Val Lys
Trp Arg Thr Thr
Trp Thr Arg Thr
Trp Thr Thr Arg
Trp Val Lys Met
Trp Val Met Lys
Tyr Lys Pro Arg
Tyr Lys Arg Pro
Tyr Pro Lys Arg
Tyr Pro Gln Arg
Tyr Pro Arg Lys
Tyr Pro Arg Gln
Tyr Gln Pro Arg
Tyr Gln Arg Pro
Tyr Arg Lys Pro
Tyr Arg Pro Lys
Tyr Arg Pro Gln
Tyr Arg Gln Pro
PKOOA-PA
C27H47O10P (562.2906691999999)
3beta,11beta-dihydroxy-24,25,26,27-tetranor-cycloart-7-en-23,16beta-olide-3- O-beta-D-xylopyranoside
decanedioic acid,dimethyl benzene-1,4-dicarboxylate,2,2-dimethylpropane-1,3-diol,ethane-1,2-diol
4,5 benzo-1-butyl-1,3,3,3,3-penta-methylindadicarbocyanine tetrafluoroborate
(4-octylphenyl) 2-chloro-4-(4-heptylbenzoyl)oxybenzoate
1-[4-[[4-(dioctylamino)phenyl]diazenyl]-3-nitrophenyl]-2,2,2-trifluoroethanone
butyl 2-methylprop-2-enoate,butyl prop-2-enoate,ethylbenzene,methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid
Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir
Oleandrigenin monodigitoxoside
A steroid saponin that consists of oleandrigenin having a digitoxosyl residue attached at position 3.
Tandutinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
2-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
3-[(21S,22S)-16-ethenyl-26-ethyl-4-hydroxy-12,17,21-trimethyl-11-propyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
sodium globostellatate A
An organic sodium salt that is the monosodium of globostellatic acid A. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells.
2-methoxy-3,5-dimethyl-6-[(1E,5E,7E,11E)-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]pyran-4-one
(2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester
[(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate
N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide
C28H42N4O6S (562.2824912000001)
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide
C28H42N4O6S (562.2824912000001)
(3R,5R,6R,7S,9S,10R,13R,17R)-17-((R)-5-ethoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
C27H47O10P (562.2906691999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
C27H47O10P (562.2906691999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
C27H47O10P (562.2906691999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
C27H47O10P (562.2906691999999)
(2S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-2,7,12-triyl triacetate
2-[[3-butanoyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(1r,2r,13s,15s)-6,8-dihydroxy-13-methoxy-17,17-dimethyl-5,15-bis(3-methylbut-2-en-1-yl)-7-(2-methylbut-3-en-2-yl)-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraene-10,14-dione
3-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-(2,4-dimethyl-5-oxooxolan-3-yl)-3-hydroxybutan-2-yl acetate
(1'r,2s,2'r,8'r,9s,9as,10's,11'r,12's,16's)-2,2',7',7',11',16'-hexamethyl-3,5'-dioxo-2,9a-dihydro-1h-6',15'-dioxaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-3'-en-10'-yl acetate
2,2',7',7',11',16'-hexamethyl-3,5'-dioxo-2,9a-dihydro-1h-6',15'-dioxaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-3'-en-10'-yl acetate
(1r,2r,3r,3as,3br,5r,5ar,7s,9ar,9bs,11ar)-2,3,5,5a-tetrahydroxy-1-[(2r,6s)-7-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-7-yl methyl sulfate
(2s,4s)-n-[(3r,4r,7r,10z)-5,8-dihydroxy-3-isopropyl-7-[(1r)-1-phenylethyl]-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylhexanimidic acid
C33H46N4O4 (562.3518875999999)
(2r,3r)-3-[(1s,3as,5ar,7r,8r,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2r,3s,4s)-2,4-dimethyl-5-oxooxolan-3-yl]-3-hydroxybutan-2-yl acetate
6-cyclohexyl-7',15'-dihydroxy-5,6',14',16'-tetramethyl-5,6-dihydro-2',20'-dioxaspiro[pyran-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaen-3'-one
(2s,3s,4r,6s,7s,8r,11r)-6-(acetyloxy)-8-(butanoyloxy)-14-[(2r)-1-methoxy-1-oxopropan-2-yl]-3,7,11-trimethyl-15-oxatricyclo[9.3.1.0²,⁷]pentadeca-1(14),12-dien-4-yl butanoate
2-[5-hydroxy-2-(2-hydroxypropan-2-yl)-7-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
2-{[8a-methyl-4-methylidene-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-octahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
n-{2,6-dimethyl-7-[(2-methylbutanoyl)oxy]-8-(4-methylhexyl)-4,9-dioxo-1,5-dioxonan-3-yl}-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(1r,3s,5s,6ar,7s,8r,9r,10s,10ar)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-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
1-(acetyloxy)-11-[(acetyloxy)methyl]-3,6,6,15-tetramethyl-2-oxotricyclo[11.3.0.0⁵,⁷]hexadeca-3,11-dien-14-yl 3-phenylprop-2-enoate
(3s)-3-[(4as,6s)-2-hydroxy-7,7-dimethyl-4a,6-bis(3-methylbut-2-en-1-yl)-3-(3-methylbutanoyl)-4-oxo-5,6-dihydrochromen-8-yl]-3-phenylpropanoic acid
(1s,2s,13r,15r)-6,8-dihydroxy-13-methoxy-17,17-dimethyl-5,15-bis(3-methylbut-2-en-1-yl)-7-(2-methylbut-3-en-2-yl)-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraene-10,14-dione
2-methoxy-3,5-dimethyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
(1s,2z,6z,11r,13r,14s,15r,18s,20s,21z,25r,27s)-11,14,15,18-tetrahydroxy-7,13,20,21,25-pentamethyl-23-methylidene-9,28-dioxabicyclo[25.1.0]octacosa-2,6,21-triene-8,16-dione
(1s,2e,6e,10s,12r,13s,14s,17s,19r,20e,24r,26s)-13,14,17,19-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
1,3(15),6-farnesatriene-10,11-diol; 10-o-[beta-d-glucopyranosyl(1→4)-beta-d-glucopyranoside]
{"Ingredient_id": "HBIN001000","Ingredient_name": "1,3(15),6-farnesatriene-10,11-diol; 10-o-[beta-d-glucopyranosyl(1\u21924)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C27H46O12","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9572","PubChem_id": "NA","DrugBank_id": "NA"}
22-acetylcasterone
{"Ingredient_id": "HBIN003677","Ingredient_name": "22-acetylcasterone","Alias": "NA","Ingredient_formula": "C31H46O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "346","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5alpha-Hydroxy-2alpha-(alpha-methylbutyryl)-oxy-7beta,9alpha,10beta-triacetoxy-4(20),11-taxadiene
{"Ingredient_id": "HBIN011422","Ingredient_name": "5alpha-Hydroxy-2alpha-(alpha-methylbutyryl)-oxy-7beta,9alpha,10beta-triacetoxy-4(20),11-taxadiene","Alias": "5\u03b1-hydroxy-2\u03b1-(\u03b1-methylbutyryl)-oxy-7\u03b2,9\u03b1,10\u03b2-triacetoxy-4(20),11-taxadiene; 5alpha-hydroxy-2alpha-(alpha-methylbutyryl)-oxy-7beta,9alpha,10beta-triacetoxy-4(20),11-taxadiene","Ingredient_formula": "C31H46O9","Ingredient_Smile": "CCC(C)C(=O)OC1C2CCC(=C(C2(C)C)C(C(C3(C1C(=C)C(CC3OC(=O)C)O)C)OC(=O)C)OC(=O)C)C","Ingredient_weight": "562.77","OB_score": "27.89459113","CAS_id": "NA","SymMap_id": "SMIT00866","TCMID_id": "31229;10474","TCMSP_id": "MOL009529","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9α-hydroxy-14β-(2-methylbutyryl)-oxy-2α,5α,10β-tri acetoxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN014043","Ingredient_name": "9\u03b1-hydroxy-14\u03b2-(2-methylbutyryl)-oxy-2\u03b1,5\u03b1,10\u03b2-tri acetoxytaxa-4(20),11-diene","Alias": "9alpha-hydroxy-14beta-(2-methylbutyryl)oxy-2alpha,5alpha,10beta-triacetoxytaxa-4(20),11-diene","Ingredient_formula": "C31H46O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10475;31230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
atractyloside d
{"Ingredient_id": "HBIN017304","Ingredient_name": "atractyloside d","Alias": "NA","Ingredient_formula": "C27H46O12","Ingredient_Smile": "CC12CCC(CC1C(=C)CC(C2)OC3C(C(C(C(O3)CO)O)O)O)C(C)(C)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "562.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14421","TCMID_id": "1977","TCMSP_id": "NA","TCM_ID_id": "6490","PubChem_id": "101831402","DrugBank_id": "NA"}
n-[(2r,3s,6s,7r,8r)-2,6-dimethyl-8-(3-methylbutyl)-7-[(4-methylhexanoyl)oxy]-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(1's,2s,5s,6r,10'e,12'e,14's,15's,16'e,19'r)-6-cyclohexyl-7',15'-dihydroxy-5,6',14',16'-tetramethyl-5,6-dihydro-2',20'-dioxaspiro[pyran-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaen-3'-one
(2r,3r,4s,5s,6r)-2-{[(2s,4as,6r,8ar)-8a-methyl-4-methylidene-6-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-octahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r)-3-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2r,3s,4s)-2,4-dimethyl-5-oxooxolan-3-yl]-3-hydroxybutan-2-yl acetate
{[(4e,8s,9s,10e,12s,13r,14s,16r)-3,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18-pentaen-9-yl]oxy}methanimidic acid
(1s,2s,3r,4r,7r,8r,11s,12r,14r,17s)-14-(butanoyloxy)-4-hydroxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.0²,⁷.0³,¹⁷]octadecan-12-yl octanoate
(1r,2r,13s,15s)-6,8-dihydroxy-13-methoxy-17,17-dimethyl-5,7,15-tris(3-methylbut-2-en-1-yl)-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraene-10,14-dione
5-hydroxy-6-(1-hydroxy-2-oxo-1-phenylpropyl)-2,3-dimethyl-8-[5-methyl-2-(propan-2-ylidene)hex-4-en-1-yl]-8-(3-methylbut-2-en-1-yl)-2,3,4a,8a-tetrahydro-1-benzopyran-4,7-dione
2-({4,5-dihydroxy-6-[(2-hydroxy-2,6-dimethyl-10-methylidenedodeca-6,11-dien-3-yl)oxy]-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,3e,5r,7s,11z,13s,14s,15s)-1-(acetyloxy)-11-[(acetyloxy)methyl]-3,6,6,15-tetramethyl-2-oxotricyclo[11.3.0.0⁵,⁷]hexadeca-3,11-dien-14-yl (2e)-3-phenylprop-2-enoate
(1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate
6-hydroxy-2-methyl-5-oxo-6-{2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl}heptan-2-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 (2r,3s)-3-hydroxy-2-methylbutanoate
11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10,18-bis(3-methylbut-2-en-1-yl)-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4,9,11,14-tetraene-13,17-dione
3-[2-hydroxy-7,7-dimethyl-4a,6-bis(3-methylbut-2-en-1-yl)-3-(3-methylbutanoyl)-4-oxo-5,6-dihydrochromen-8-yl]-3-phenylpropanoic acid
6-(acetyloxy)-8-(butanoyloxy)-14-(1-methoxy-1-oxopropan-2-yl)-3,7,11-trimethyl-15-oxatricyclo[9.3.1.0²,⁷]pentadeca-1(14),12-dien-4-yl butanoate
n-[5,8-dihydroxy-3-isopropyl-7-(1-phenylethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylhexanimidic acid
C33H46N4O4 (562.3518875999999)