Exact Mass: 616.2739598000001
Exact Mass Matches: 616.2739598000001
Found 280 metabolites which its exact mass value is equals to given mass value 616.2739598000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
magnesium;3-[(21S,22S)-26-ethyl-16-(1-hydroxyethyl)-12,17,21-trimethyl-11-(2-methylpropyl)-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
Casopitant
2-((2-Methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl 4-(2-(2-(9H-fluoren-9-yl)acetamido)ethyl)benzoate
5,10,15,20-Tetraphenyl-21,22,23,24-tetrahydroporphyrin
7,7-bis(dehydro-O-methylisopiline)
C38H36N2O6 (616.2573236000001)
131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester
1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha-(2)-methylbutyroyloxy-4beta-hydroxy-dihydro-beta-agarofuran
(1S,2R,3R,4R,7R,8S,10S,13S,17R)-3-(acetyloxy)-17-(furan-3-yl)hexadecahydro-1,2,7-trihydroxy-4,8,13-trimethyl-11,15-dioxo-4,10-(methanooxymethano)cyclopenta[a]phenanthren-20-yl 2-methylbutanoate|1,3-epi-29-[(2-methylbutanoyl)oxy]-2alpha-hydroxyamoorastatone
6-acetoxytropan-3-yl 6-hydroxytropan-3-yl truxillate
1beta-(alpha-methyl)-butanoyloxy-2beta,6alpha,13-triacetoxy-9beta-benzoyloxy-beta-dihydroagarofuran
cyclo(glycyl-L-prolylglycyl-L-prolylglycyl-L-prolylglycyl-L-prolyl)|cyclo(L-Pro-Gly)4|cyclo(L-ProGly)4|Cyclo(L-prolylglycyl)4|cyclo-(glycyl->-L-prolyl->-glycyl->-L-prolyl->-glycyl->-L-prolyl->-glycyl->-L-prolyl)
C28H40N8O8 (616.2968960000001)
16-O-pentadeca-2,4,6,8,10,12,14-heptaenoyl-13-O-acetyl-12-deoxyphorbol
7-acetyl-11beta-acetoxy-1-epidihydronomilin|toonin A
6,7-dihydroxy-hardwickiic acid 2-beta-D-glucopyranosylbenzyl ester
5-(2-{2-(3,6-diamino-hexanoylamino)-O5,O6-[2-(2-hydroxy-propoxy)-propane-1,1-diyl]-2-deoxy-hexofuranosylamino}-4,5-dihydro-1H-imidazol-4-yl)-5-hydroxy-dihydro-pyrimidine-2,4-dione|Racemomycin-O
n-Octyl 3,6-Di-O-(alpha-D-mannopyranosyl)-beta-D-mannopyranoside
3-3Linked-(2-hydroxy-4-O-isoprenylchalcone)-(2-hydroxy-4-O-isoprenyl dihydrochalcone)
Glu Pro Trp Trp
C32H36N6O7 (616.2645345999999)
Glu Trp Pro Trp
C32H36N6O7 (616.2645345999999)
Glu Trp Trp Pro
C32H36N6O7 (616.2645345999999)
Phe His Lys Trp
Phe His Gln Trp
C31H36N8O6 (616.2757676000001)
Phe His Trp Lys
Phe His Trp Gln
C31H36N8O6 (616.2757676000001)
Phe Lys His Trp
Phe Lys Trp His
Phe Gln His Trp
C31H36N8O6 (616.2757676000001)
Phe Gln Trp His
C31H36N8O6 (616.2757676000001)
Phe Trp His Lys
Phe Trp His Gln
C31H36N8O6 (616.2757676000001)
Phe Trp Lys His
Phe Trp Gln His
C31H36N8O6 (616.2757676000001)
His Phe Lys Trp
His Phe Gln Trp
C31H36N8O6 (616.2757676000001)
His Phe Trp Lys
His Phe Trp Gln
C31H36N8O6 (616.2757676000001)
His Lys Phe Trp
His Lys Trp Phe
His Gln Phe Trp
C31H36N8O6 (616.2757676000001)
His Gln Trp Phe
C31H36N8O6 (616.2757676000001)
His Trp Phe Lys
His Trp Phe Gln
C31H36N8O6 (616.2757676000001)
His Trp Lys Phe
His Trp Gln Phe
C31H36N8O6 (616.2757676000001)
Lys Phe His Trp
Lys Phe Trp His
Lys His Phe Trp
Lys His Trp Phe
Lys Trp Phe His
Lys Trp His Phe
Pro Glu Trp Trp
C32H36N6O7 (616.2645345999999)
Pro Trp Glu Trp
C32H36N6O7 (616.2645345999999)
Pro Trp Trp Glu
C32H36N6O7 (616.2645345999999)
Gln Phe His Trp
C31H36N8O6 (616.2757676000001)
Gln Phe Trp His
C31H36N8O6 (616.2757676000001)
Gln His Phe Trp
C31H36N8O6 (616.2757676000001)
Gln His Trp Phe
C31H36N8O6 (616.2757676000001)
Gln Gln Arg Trp
Gln Gln Trp Arg
Gln Arg Gln Trp
Gln Arg Trp Gln
Gln Trp Phe His
C31H36N8O6 (616.2757676000001)
Gln Trp His Phe
C31H36N8O6 (616.2757676000001)
Gln Trp Gln Arg
Gln Trp Arg Gln
Arg Gln Gln Trp
Arg Gln Trp Gln
Arg Trp Gln Gln
Trp Glu Pro Trp
C32H36N6O7 (616.2645345999999)
Trp Glu Trp Pro
C32H36N6O7 (616.2645345999999)
Trp Phe His Lys
Trp Phe His Gln
C31H36N8O6 (616.2757676000001)
Trp Phe Lys His
Trp Phe Gln His
C31H36N8O6 (616.2757676000001)
Trp His Phe Lys
Trp His Phe Gln
C31H36N8O6 (616.2757676000001)
Trp His Lys Phe
Trp His Gln Phe
C31H36N8O6 (616.2757676000001)
Trp Lys Phe His
Trp Lys His Phe
Trp Pro Glu Trp
C32H36N6O7 (616.2645345999999)
Trp Pro Trp Glu
C32H36N6O7 (616.2645345999999)
Trp Gln Phe His
C31H36N8O6 (616.2757676000001)
Trp Gln His Phe
C31H36N8O6 (616.2757676000001)
Trp Gln Gln Arg
Trp Gln Arg Gln
Trp Arg Gln Gln
Trp Trp Glu Pro
C32H36N6O7 (616.2645345999999)
Trp Trp Pro Glu
C32H36N6O7 (616.2645345999999)
Fe Sat DFO
C25H48FeN6O8 (616.2882837999999)
5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
Casopitant
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(16alpha,20R)-20,24-epoxy-2,16-dihydroxy-25,26,27-trinorcucurbita-1,5,23-triene-3,11,22-trione 2-O-beta-Dglucopyranoside
A triterpenoid saponin of the class of cucurbitane glycosides isolated from Machilus yaoshansis.
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxybutanediamide;iron(3+)
C25H48FeN6O8+3 (616.2882837999999)
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
(31R)-8,12-diethyl-71-hydroxybacteriochlorophyllide c
Desferal-iron(III)
C25H48FeN6O8 (616.2882837999999)
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
5,10,15,20-Tetraphenyl-22,24-dihydro-21H,23H-porphyrin
trigoheterin D, (rel)-
A natural product found in Trigonostemon heterophyllus.
2-[(2R,4aR,12aS)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2R,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2S,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
C33H40N6O6 (616.3009180000001)
(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2S,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2R,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2S,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2R,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2R,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2S,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2R,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
1-(4-fluorophenyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2S,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
2-[(2S,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
C33H40N6O6 (616.3009180000001)
3-[(2Z,3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-2-[(5R)-2-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-1H-cyclopenta[b]pyrrol-6-ylidene]-4-methyl-3,4-dihydropyrrol-3-yl]propanoic acid
(R)-Casopitant
(R)-Casopitant ((R)-GW679769) is the isomer of Casopitant (HY-14405). Casopitant is a NK(1)-receptor antagonist. Casopitant can be used for the research of chemotherapy-induced nausea and vomiting[1][2].
(1s,2r,4s,7s,8s,10s,11r,12r,13s,18r,20r)-13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
5-{1-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-hydroxyethyl}-2-(3-methoxy-4-methylpent-4-en-1-yl)-2-methyloxolan-3-ol
1,3-ditrimethylsilyl 2,4-bis({4-[(trimethylsilyl)oxy]phenyl})cyclobutane-1,3-dicarboxylate
(4ar,4br,7r,8r,8as,9r)-4a,7-dimethyl-2-oxo-8-[(4r)-3-oxo-4-[(1s,3r,5r)-5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]pentyl]-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-yl acetate
(1r,2r,4s,5s,6s,10r,11s,12r,15r,16r,18s,19r)-4-(acetyloxy)-6-(furan-3-yl)-11,16-dihydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-18-yl (2e)-3-phenylprop-2-enoate
methyl 5-ethenyl-4-(2-{[3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s)-1-[(1s,3ar,3bs,7s,9ar,9br,11r,11ar)-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-11-{[(2e)-3-phenylprop-2-enoyl]oxy}-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl benzoate
(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16r,19r,20r,21s)-21-(acetyloxy)-6-(furan-3-yl)-12,19,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl (2r)-2-methylbutanoate
13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
methyl 4-(2-{[(4r,4as,6s,7r,7as)-3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
[(1s,2r,3r,4s,5s,6r,7r,8s,9s,10s,13s,16s,17r,18s)-11-formyl-7,9-dihydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate
(1s,2s,3s,5r,6r,9r,10r,12s,14r,16r,18s,20r,22s,23s,25r)-3,9,23-trihydroxy-1,5,20-trimethyl-4-oxo-6-(6-oxopyran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-22-yl acetate
1-hydroxy-9a,11a-dimethyl-7-oxo-1-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)-2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
21-(acetyloxy)-6-(furan-3-yl)-12,19,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate
(2s,3r,5r)-5-[(1r)-1-[(2s,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-hydroxyethyl]-2-[(3r)-3-methoxy-4-methylpent-4-en-1-yl]-2-methyloxolan-3-ol
(1s,2s,4s,7r,9r,11s,13r,14s,15r,16s,17r)-4,15-bis(acetyloxy)-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate
12-hydroxyvilasinin
{"Ingredient_id": "HBIN000888","Ingredient_name": "12-hydroxyvilasinin","Alias": "NA","Ingredient_formula": "C37H44O8","Ingredient_Smile": "NA","Ingredient_weight": "616.75","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9361","PubChem_id": "NA","DrugBank_id": "NA"}
3-3''linked-(2'-hydroxy-4-o-isoprenylchalcone)-(2'''-hydroxy-4''-o-isoprenyl dihydrochalcone)
{"Ingredient_id": "HBIN007201","Ingredient_name": "3-3''linked-(2'-hydroxy-4-o-isoprenylchalcone)-(2'''-hydroxy-4''-o-isoprenyl dihydrochalcone)","Alias": "NA","Ingredient_formula": "C40H40O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12884","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-epi-19-hydroxybaccatin b5677iii
{"Ingredient_id": "HBIN013168","Ingredient_name": "7-epi-19-hydroxybaccatin b5677iii","Alias": "NA","Ingredient_formula": "C32H40O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
azecin 4
{"Ingredient_id": "HBIN017444","Ingredient_name": "azecin 4","Alias": "NA","Ingredient_formula": "C33H44O11","Ingredient_Smile": "CC(=O)OC1CC2C(C(C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)OC7C(C(C(CO7)O)O)O)(C)C","Ingredient_weight": "616.7","OB_score": "NA","CAS_id": "182565-81-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6454","PubChem_id": "102150317","DrugBank_id": "NA"}
azedarachin a
{"Ingredient_id": "HBIN017445","Ingredient_name": "azedarachin a","Alias": "NA","Ingredient_formula": "C33H44O11","Ingredient_Smile": "CCC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(CC2OC(=O)C)O)C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)O)C)O)C","Ingredient_weight": "616.7","OB_score": "NA","CAS_id": "157622-62-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6453","PubChem_id": "101930511","DrugBank_id": "NA"}
(1s,2r,4s,7s,8s,10r,11r,12r,13s,18r,20r)-13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
(4as,5r,8ar)-5-{[(1r,4as,7s,8as)-7-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
(2r,3s,4r,5r,6r)-5-amino-6-{[(1r,2r,3s,4r,6s)-6-amino-2-{[(2s,3r,4s,5r)-4-{[(2r,3r,4r,5s,6s)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxycyclohexyl]oxy}-2-(aminomethyl)oxane-3,4-diol
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,16s,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate
4a,7-dimethyl-2-oxo-8-(3-oxo-4-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}pentyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-yl acetate
(1s,2s,5s,6r,9r,10s,11r,13r,14r,15s,18s,19r,20r)-20-(acetyloxy)-6-(furan-3-yl)-11,18,19-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl (2r)-2-methylbutanoate
(1s,2s,4s,5r,6r,7s,9r,12r)-5-(acetyloxy)-12-(furan-2-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-4-{[(2r)-2-methylbutanoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-2-carboxylate
(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16r,19r,20r,21s)-20-(acetyloxy)-6-(furan-3-yl)-12,19,21-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl (2r)-2-methylbutanoate
4,12-bis(acetyloxy)-5-{[2-(acetyloxy)acetyl]oxy}-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl 3-phenylprop-2-enoate
[5-hydroxy-1-(5-hydroxy-2-oxo-5h-furan-3-yl)-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl][4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl 2-methylbutanoate
(2s,3s,4r,5r,6r)-5-amino-6-{[(2r,3s,4r,5s)-5-{[(1r,2r,3s,5r,6s)-3-amino-2-{[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-2-(aminomethyl)oxane-3,4-diol
(1s,2r,4s,6r,9e,11s,12s)-12-[(butanoyloxy)methyl]-4,9-dimethyl-15-(propan-2-ylidene)-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.0⁴,⁶]pentadec-9-en-2-yl pyridine-3-carboxylate
4-(acetyloxy)-6-(furan-3-yl)-11,16-dihydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-18-yl 3-phenylprop-2-enoate
10-{9-hydroxy-8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-10-yl}-8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-9-ol
C38H36N2O6 (616.2573236000001)
1-{1-carboxy-3-[(3-carboxy-1-hydroxy-3-{[3-(n-hydroxydecanamido)propyl]-c-hydroxycarbonimidoyl}propylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16s,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl (2r)-2-methylbutanoate
(1s,2s,4r,5s,6s,9s,10s,11r,13r,14r,15s,18s,20r)-20-(acetyloxy)-6-(furan-3-yl)-4,11,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl (2r)-2-methylbutanoate
10-benzyl-7,13-bis(1-hydroxyethyl)-4-methyl-16-(sec-butyl)-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol
20-(acetyloxy)-6-(furan-3-yl)-4,11,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylbutanoate
(1r,2r,3as,3bs,9ar,9br,11ar)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-1-[(2r)-2-methyl-3-oxofuran-2-yl]-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
[(1s,3r,6s,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxohept-5-en-2-yl]-7-[(sulfooxy)methyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxidanesulfonic acid
C30H48O9S2 (616.2739598000001)
(1s,4as,6s,7r,7as)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (2s,3s,4r,6s)-2-hydroxy-6-methoxy-4-[(2e)-1-oxobut-2-en-2-yl]oxane-3-carboxylate
(r)-[(1r,5r,8ar)-5-hydroxy-1-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl][(4r,5r)-4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl (2r)-2-methylbutanoate
4,15-bis(acetyloxy)-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate
(4s,7r,10s,13r,16s)-10-benzyl-16-[(2s)-butan-2-yl]-7,13-bis[(1s)-1-hydroxyethyl]-4-methyl-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol
(4as,5r,8ar)-5-{[(1s,4as,8as)-1-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
20-(acetyloxy)-6-(furan-3-yl)-12,19,21-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate
methyl (4s,5r,6s)-4-(2-{[(3r,4r,4as,6r,7r,7as)-3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s,2r,4s,5r,6r,7r,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-5-{[(2r)-2-methylbutanoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(14s,17s,20r,23r)-14-amino-17-[(2s)-butan-2-yl]-9,15,18,21,32-pentahydroxy-2-oxa-16,19,22-triazapentacyclo[23.2.2.1³,⁷.1⁵,²⁰.1⁸,¹²]dotriaconta-1(27),3(32),4,6,8(31),9,11,15,18,21,25,28-dodecaene-23-carboxylic acid
20-(acetyloxy)-6-(furan-3-yl)-11,18,19-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylbutanoate
(2r,3r,4s,5s,6r)-5-amino-6-{[(2r,3s,4r,5s)-5-{[(1r,2r,3s,5r,6s)-3-amino-2-{[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-2-(aminomethyl)oxane-3,4-diol
14,15,16-trimethoxy-8-{14,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene
C38H36N2O6 (616.2573236000001)