Exact Mass: 558.3616162
Exact Mass Matches: 558.3616162
Found 500 metabolites which its exact mass value is equals to given mass value 558.3616162
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cucurbitacin B
Together wth other cucurbitacins, is responsible for the bitter taste and toxic props. of spoilt cucumbers. Cucurbitacin B is found in many foods, some of which are muskmelon, bitter gourd, green vegetables, and cucumber. Cucurbitacin B is found in bitter gourd. Together wth other cucurbitacins, is responsible for the bitter taste and toxic properties of spoilt cucumber Cucurbitacin B is a cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23; a hydroxy function at C-25 is acetylated. It is a cucurbitacin, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a lanostane. Cucurbitacin B is a natural product found in Begonia plebeja, Trichosanthes miyagii, and other organisms with data available. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5]. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5]. (+)-Cucurbitacin B. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6199-67-3 (retrieved 2024-08-12) (CAS RN: 6199-67-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Milbemycin beta2
Isocucurbitacin B
Isocucurbitacin B is a natural product found in Helicteres isora, Cucurbita foetidissima, and other organisms with data available.
Colossolactone VII
A tricyclic triterpenoid that is 3,4-seco-lanosta-8,24-diene-26,22-olide 3-methylester substituted by an acetoxy group at position 19 and a hydroxy group at position 4. It is isolated from the fruiting bodies of the Vietnamese mushroom Ganoderma colossum and displays inhibitory activity towards the enzyme HIV protease.
3beta,11alpha-Diacetoxy-13beta-hydroxyolean-12-one
Gamabufotalin-3-hemisuberat|Gamabufotalin-3-suberate|Korksaeure-mono-(3-gamabufotalylester)|Korksaeure-mono-3-gamabufotalylester
7,23-dihydroxy-3-O-malonylcucurbita-5,24-dien-19-al
(24S)-5-hydroxy-24-ethyl-5alpha-cholesta-8,14,22-trien-3beta-yl-D-xylopyranoside
Tetradecanoic acid, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester
7alpha-myristyloxy-6beta,12-dihydroxy-abieta-8,12-diene-11,14-dione
(5R,7R,8R,9R,10R,13S,17S)-17-{(2R,3S,5R)-2-ethoxy-5-[(1R)-2-ethoxy-1-hydroxy-2-methylpropyl]tetrahydrofuran-3-yl}-4,5,6,7,8,9,10,11,12,13,16,17-dodechydro-7-hydroxy-4,4,8,10,13-pentamethyl-3H-cyclopenta[a]phenanthren-3-one|protoxylocarpin C
12beta-acetoxy-3beta,7beta-dihydroxy-11,15-dioxo-lanosta-8,24(E)-dien-26-oic acid|ganoderic acid GS-3
3-beta-benzoyloxyoleana-11,13(18)-dien-28-oic acid
3beta-acetoxy-12beta-methoxy-22,25-oxido-7,8-dihydroholothurinogenin
(3beta,15alpha)-3-(acetyloxy)-15-hydroxy-7,11,23-trioxolanost-8-en-26-oic acid|3-O-acetylganoderic acid K
(3beta,4beta,5beta,6beta,18R,22R)-5,6:18,20-diepoxy-3,18-diethoxy-4,22-dihydroxy-1-oxoergost-24-en-26-oic acid gamma-lactone|withaphysalin W
Cucurbitacin B
Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5]. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5].
(22E)-ergosta-7,9,22-trien-3beta-ol beta-D-glucoside|easitoerol 4
7alpha-acetoxy-21R?,23R?-epoxy-24S?,25-dihydroxy-21alpha-methoxy-4,4,8-trimethyl-cholesta-1,14-dien-3-one|brujavanone H
(3beta,7beta)-3-(acetyloxy)-7-hydroxy-11,15,23-trioxolanost-8-en-26-oic acid|3-O-acetylganoderic acid B
(3beta,22E)-ergosta-5,7,22-trien-3-yl D-glucopyranoside|3-beta-O-glucopyranosylergosta-5,7,22-triene|Egosteryl-beta-D-glucopyranosid|ergosterol-3-O-beta-D-glucopyranoside|ergosteryl-3-O-beta-D-glucopyranoside|ergosteryl-beta-D-glucopyranoside
3alpha-acetoxy-21R-ethoxy-17alpha-20S-21,23R-epoxyapotirucall-14,25-dien-7alpha,24R-diol|chisopanin D
20-O-tetradecanoyl-ingenol|20-O-tetradecanoylingenol|Ingenol-20-myristinate
His Lys Phe Lys
Phe Lys His Lys
Asp Ile Arg Arg
C22H42N10O7 (558.3237782000001)
Asp Leu Arg Arg
C22H42N10O7 (558.3237782000001)
Asp Arg Ile Arg
C22H42N10O7 (558.3237782000001)
Asp Arg Leu Arg
C22H42N10O7 (558.3237782000001)
Asp Arg Arg Ile
C22H42N10O7 (558.3237782000001)
Asp Arg Arg Leu
C22H42N10O7 (558.3237782000001)
Glu Arg Arg Val
C22H42N10O7 (558.3237782000001)
Glu Arg Val Arg
C22H42N10O7 (558.3237782000001)
Glu Val Arg Arg
C22H42N10O7 (558.3237782000001)
Phe His Lys Lys
Phe Lys Lys His
His Phe Lys Lys
His Lys Lys Phe
Ile Asp Arg Arg
C22H42N10O7 (558.3237782000001)
Ile Ile Lys Trp
Ile Ile Gln Trp
Ile Ile Trp Lys
Ile Ile Trp Gln
Ile Lys Ile Trp
Ile Lys Leu Trp
Ile Lys Trp Ile
Ile Lys Trp Leu
Ile Leu Lys Trp
Ile Leu Gln Trp
Ile Leu Trp Lys
Ile Leu Trp Gln
Ile Gln Ile Trp
Ile Gln Leu Trp
Ile Gln Trp Ile
Ile Gln Trp Leu
Ile Arg Asp Arg
C22H42N10O7 (558.3237782000001)
Ile Arg Arg Asp
C22H42N10O7 (558.3237782000001)
Ile Trp Ile Lys
Ile Trp Ile Gln
Ile Trp Lys Ile
Ile Trp Lys Leu
Ile Trp Leu Lys
Ile Trp Leu Gln
Ile Trp Gln Ile
Ile Trp Gln Leu
Lys Phe His Lys
Lys Phe Lys His
Lys His Phe Lys
Lys His Lys Phe
Lys Ile Ile Trp
Lys Ile Leu Trp
Lys Ile Trp Ile
Lys Ile Trp Leu
Lys Lys Phe His
Lys Lys His Phe
Lys Lys Lys Arg
Lys Lys Gln Arg
C23H46N10O6 (558.3601616000001)
Lys Lys Arg Lys
Lys Lys Arg Gln
C23H46N10O6 (558.3601616000001)
Lys Leu Ile Trp
Lys Leu Leu Trp
Lys Leu Trp Ile
Lys Leu Trp Leu
Lys Gln Lys Arg
C23H46N10O6 (558.3601616000001)
Lys Gln Gln Arg
C22H42N10O7 (558.3237782000001)
Lys Gln Arg Lys
C23H46N10O6 (558.3601616000001)
Lys Gln Arg Gln
C22H42N10O7 (558.3237782000001)
Lys Arg Lys Lys
Lys Arg Lys Gln
C23H46N10O6 (558.3601616000001)
Lys Arg Gln Lys
C23H46N10O6 (558.3601616000001)
Lys Arg Gln Gln
C22H42N10O7 (558.3237782000001)
Lys Trp Ile Ile
Lys Trp Ile Leu
Lys Trp Leu Ile
Lys Trp Leu Leu
Leu Asp Arg Arg
C22H42N10O7 (558.3237782000001)
Leu Ile Lys Trp
Leu Ile Gln Trp
Leu Ile Trp Lys
Leu Ile Trp Gln
Leu Lys Ile Trp
Leu Lys Leu Trp
Leu Lys Trp Ile
Leu Lys Trp Leu
Leu Leu Lys Trp
Leu Leu Gln Trp
Leu Leu Trp Lys
Leu Leu Trp Gln
Leu Gln Ile Trp
Leu Gln Leu Trp
Leu Gln Trp Ile
Leu Gln Trp Leu
Leu Arg Asp Arg
C22H42N10O7 (558.3237782000001)
Leu Arg Arg Asp
C22H42N10O7 (558.3237782000001)
Leu Trp Ile Lys
Leu Trp Ile Gln
Leu Trp Lys Ile
Leu Trp Lys Leu
Leu Trp Leu Lys
Leu Trp Leu Gln
Leu Trp Gln Ile
Leu Trp Gln Leu
Gln Ile Ile Trp
Gln Ile Leu Trp
Gln Ile Trp Ile
Gln Ile Trp Leu
Gln Lys Lys Arg
C23H46N10O6 (558.3601616000001)
Gln Lys Gln Arg
C22H42N10O7 (558.3237782000001)
Gln Lys Arg Lys
C23H46N10O6 (558.3601616000001)
Gln Lys Arg Gln
C22H42N10O7 (558.3237782000001)
Gln Leu Ile Trp
Gln Leu Leu Trp
Gln Leu Trp Ile
Gln Leu Trp Leu
Gln Gln Lys Arg
C22H42N10O7 (558.3237782000001)
Gln Gln Arg Lys
C22H42N10O7 (558.3237782000001)
Gln Arg Lys Lys
C23H46N10O6 (558.3601616000001)
Gln Arg Lys Gln
C22H42N10O7 (558.3237782000001)
Gln Arg Gln Lys
C22H42N10O7 (558.3237782000001)
Gln Trp Ile Ile
Gln Trp Ile Leu
Gln Trp Leu Ile
Gln Trp Leu Leu
Arg Asp Ile Arg
C22H42N10O7 (558.3237782000001)
Arg Asp Leu Arg
C22H42N10O7 (558.3237782000001)
Arg Asp Arg Ile
C22H42N10O7 (558.3237782000001)
Arg Asp Arg Leu
C22H42N10O7 (558.3237782000001)
Arg Glu Arg Val
C22H42N10O7 (558.3237782000001)
Arg Glu Val Arg
C22H42N10O7 (558.3237782000001)
Arg Ile Asp Arg
C22H42N10O7 (558.3237782000001)
Arg Ile Arg Asp
C22H42N10O7 (558.3237782000001)
Arg Lys Lys Lys
Arg Lys Lys Gln
C23H46N10O6 (558.3601616000001)
Arg Lys Gln Lys
C23H46N10O6 (558.3601616000001)
Arg Lys Gln Gln
C22H42N10O7 (558.3237782000001)
Arg Leu Asp Arg
C22H42N10O7 (558.3237782000001)
Arg Leu Arg Asp
C22H42N10O7 (558.3237782000001)
Arg Gln Lys Lys
C23H46N10O6 (558.3601616000001)
Arg Gln Lys Gln
C22H42N10O7 (558.3237782000001)
Arg Gln Gln Lys
C22H42N10O7 (558.3237782000001)
Arg Arg Asp Ile
C22H42N10O7 (558.3237782000001)
Arg Arg Asp Leu
C22H42N10O7 (558.3237782000001)
Arg Arg Glu Val
C22H42N10O7 (558.3237782000001)
Arg Arg Ile Asp
C22H42N10O7 (558.3237782000001)
Arg Arg Leu Asp
C22H42N10O7 (558.3237782000001)
Arg Arg Val Glu
C22H42N10O7 (558.3237782000001)
Arg Val Glu Arg
C22H42N10O7 (558.3237782000001)
Arg Val Arg Glu
C22H42N10O7 (558.3237782000001)
Arg Val Val Trp
Arg Val Trp Val
Arg Trp Val Val
Val Glu Arg Arg
C22H42N10O7 (558.3237782000001)
Val Arg Glu Arg
C22H42N10O7 (558.3237782000001)
Val Arg Arg Glu
C22H42N10O7 (558.3237782000001)
Val Arg Val Trp
Val Arg Trp Val
Val Val Arg Trp
Val Val Trp Arg
Val Trp Arg Val
Val Trp Val Arg
Trp Ile Ile Lys
Trp Ile Ile Gln
Trp Ile Lys Ile
Trp Ile Lys Leu
Trp Ile Leu Lys
Trp Ile Leu Gln
Trp Ile Gln Ile
Trp Ile Gln Leu
Trp Lys Ile Ile
Trp Lys Ile Leu
Trp Lys Leu Ile
Trp Lys Leu Leu
Trp Leu Ile Lys
Trp Leu Ile Gln
Trp Leu Lys Ile
Trp Leu Lys Leu
Trp Leu Leu Lys
Trp Leu Leu Gln
Trp Arg Val Val
Trp Val Arg Val
Trp Val Val Arg
3-O-alpha-L-rhamnopyranosyl-3-hydroxy-5Z-tetradecenoyl-3-hydroxydecanoic acid
Cucurbitacin C7
2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane
(s)-4-[(1-methylheptyloxy)carbonyl]phenyl 4-octyloxy-4-biphenylcarboxylate
N-[[5-[bis(diethylamino)phosphanyl]-9,9-dimethylxanthen-4-yl]-(diethylamino)phosphanyl]-N-ethylethanamine
(R)-4-[(1-METHYLHEPTYLOXY)CARBONYL]PHENYL 4-OCTYLOXY-4-BIPHENYLCARBOXYLATE
2,2-((9,9-BIS(2-ETHYLHEXYL)-9H-FLUORENE-2,7-DIYL)BIS(OXY))BIS(1,3,2-DIOXABORINANE)
(R)-3,3-bis(4-tert-butylphenyl)-5,5,6,6,7,7,8,8-octahydro-1,1-binaphthyl-2,2-diol
ergosteryl 3-beta-D-glucoside
The ergosterol analogue of a sterol 3-beta-D-glucoside.
7-Demethoxyegonol-9(Z),12(Z)Linoleate
A fatty acid ester that is egonol-9(Z),12(Z)linoleate in which the methoxy group at position 7 is replaced by a hydrogen. Isolated from the fruits of Styrax agrestis, it exhibits inhibitory activity against acetylcholinesterase.
[(E,6R)-6-[(2S,9R,10R,13R,14S,16R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
2,3-dimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,4-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzoic acid
[(2S,3R,4R,5S)-2-[(2R,3S,5S,10R,13S)-2,3-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-ethyl-4-hydroxy-6-methylheptan-3-yl] hydrogen sulfate
(10E,12Z,16E)-6-ethyl-9-hydroxy-10-(hydroxymethyl)-7-methoxy-5,6,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2-oxane]-3-one
2-[[3-[(3E)-hexa-3,5-dienoyl]oxy-2-[(11E)-tetradeca-11,13-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
23,24-dihydrocucurbitacin E
A 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 1 and 5; a hydroxy function at C-25 is acetylated.
rel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate
A natural product found in Pimelea elongata.
methyl 3-[(3aR,6R,7R,9bR)-6-[(acetyloxy)methyl]-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-3-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
2-[[(2R)-3-[(6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
[(4E,8E,12E)-3-hydroxy-2-(nonanoylamino)pentadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(4E,8E,12E)-3-hydroxy-2-(octanoylamino)hexadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(4E,8E,12E)-2-acetamido-3-hydroxydocosa-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(4E,8E,12E)-3-hydroxy-2-(pentanoylamino)nonadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(4E,8E,12E)-2-(hexanoylamino)-3-hydroxyoctadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(4E,8E,12E)-2-(heptanoylamino)-3-hydroxyheptadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(4E,8E,12E)-3-hydroxy-2-(propanoylamino)henicosa-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(4E,8E,12E)-2-(butanoylamino)-3-hydroxyicosa-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(E)-2-[[(9Z,12Z)-hexadeca-9,12-dienoyl]amino]-3-hydroxyoct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[(4E,8E,12E)-2-(decanoylamino)-3-hydroxytetradeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
[2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxyoctyl] 2-(trimethylazaniumyl)ethyl phosphate
C29H55N2O6P (558.3797539999999)
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (10Z,13Z,16Z)-docosa-10,13,16-trienoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z,17Z)-icosa-11,14,17-trienoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[1-[(E)-dec-4-enoyl]oxy-3-phosphonooxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (9E,11E,13E)-hexadeca-9,11,13-trienoate
2-[hydroxy-[3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoxy]-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-2-pentanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoxy]-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Cuc B
Cucurbitacin B is a cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23; a hydroxy function at C-25 is acetylated. It is a cucurbitacin, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a lanostane. Cucurbitacin B is a natural product found in Begonia plebeja, Trichosanthes miyagii, and other organisms with data available. A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23; a hydroxy function at C-25 is acetylated. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5]. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5].
(2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-7-(acetyloxy)-4-hydroxy-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-oxoheptanoic acid
(2r,3r,4s,5s,6r,11s)-8-[(2r)-butan-2-yl]-2-[(1r)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-3,5,9,11-tetramethyl-10-oxo-1,7-dioxaspiro[5.5]undec-8-en-4-yl 3-methylbutanoate
1-[2-ethoxy-5-(2-ethoxy-1-hydroxy-2-methylpropyl)oxolan-3-yl]-4-hydroxy-3b,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
n-[1-({4,5-dihydroxy-3-[(1-hydroxybutylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy)-3-methyl-1-oxobutan-2-yl]tetradecanimidic acid
(1'r,2r,4's,5s,6r,8'r,10'e,13'r,14'e,16'e,20'r,21'r,24's)-24'-hydroxy-22'-(hydroxymethyl)-21'-methoxy-5,6,11',13'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one
(1s)-1-[(1s,3s)-3-{2-[(1s,2s,4s)-4-hydroxy-1,5,5-trimethyl-3,6-dioxaspiro[bicyclo[2.2.2]octane-2,2'-oxan]-5'-ylidene]ethyl}-2,2-dimethyl-6-methylidenecyclohexyl]-2-(2-oxooxolan-3-ylidene)ethyl acetate
5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl tetradecanoate
6-[7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid
6,10,15,15-tetramethyl-7-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-3,19-dioxo-16,20-dioxatetracyclo[12.6.0.0¹,¹⁷.0⁶,¹⁰]icosan-4-yl acetate
6-ethyl-21',24'-dihydroxy-22'-(hydroxymethyl)-5,11',13'-trimethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one
(1r,2s,3s,4's,6s,8s,9r,11s,12s,13s,15r,17r,18s,20s,21r)-8-(acetyloxy)-4',5',5',11,17-pentamethyl-14,16,19-trioxaspiro[heptacyclo[11.8.1.1²,²⁰.0¹,¹⁵.0³,¹².0⁶,¹¹.0¹⁷,²¹]tricosane-18,2'-oxolan]-9-yl acetate
(2r)-1-[(1s,2s,3'r,3as,3bs,4r,4'r,9ar,9br,11as)-4-(acetyloxy)-2-hydroxy-3',9a,11a-trimethyl-7-oxo-3,3a,3b,4,5,9b,10,11-octahydro-2h-spiro[cyclopenta[a]phenanthrene-1,2'-oxetan]-4'-yl]-3-hydroxy-2,3-dimethylbutan-2-yl acetate
8-(acetyloxy)-4',5',5',11,17-pentamethyl-14,16,19-trioxaspiro[heptacyclo[11.8.1.1²,²⁰.0¹,¹⁵.0³,¹².0⁶,¹¹.0¹⁷,²¹]tricosane-18,2'-oxolan]-9-yl acetate
n-(1-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxybutylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3-methyl-1-oxobutan-2-yl)tetradecanimidic acid
2,3-dihydroxy-12-oleanene-28,30-dioic acid; (2β,3β)-form,2-ac,28-me ester
{"Ingredient_id": "HBIN004036","Ingredient_name": "2,3-dihydroxy-12-oleanene-28,30-dioic acid; (2\u03b2,3\u03b2)-form,2-ac,28-me ester","Alias": "NA","Ingredient_formula": "C33H50O7","Ingredient_Smile": "NA","Ingredient_weight": "558.75","OB_score": "NA","CAS_id": "95260-98-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8942","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydroxy-12-oleanene-28,30-dioic acid; (2β,3β)-form,3-ac,28-me ester
{"Ingredient_id": "HBIN004037","Ingredient_name": "2,3-dihydroxy-12-oleanene-28,30-dioic acid; (2\u03b2,3\u03b2)-form,3-ac,28-me ester","Alias": "NA","Ingredient_formula": "C33H50O7","Ingredient_Smile": "NA","Ingredient_weight": "558.75","OB_score": "NA","CAS_id": "95260-97-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8941","PubChem_id": "NA","DrugBank_id": "NA"}
3-epi-isocucurbitacin b
{"Ingredient_id": "HBIN008480","Ingredient_name": "3-epi-isocucurbitacin b ","Alias": "NA","Ingredient_formula": "C32H46O8","Ingredient_Smile": "CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(=O)C(C4(C)C)O)C)C)C)O)O","Ingredient_weight": "558.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20939","PubChem_id": "123134757","DrugBank_id": "NA"}