Exact Mass: 612.3846432
Exact Mass Matches: 612.3846432
Found 319 metabolites which its exact mass value is equals to given mass value 612.3846432
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(24E)-3beta,15alpha,22S-Triacetoxylanosta-7,9(11),24-trien-26-oic acid
Metabolite of Ganoderma lucidum (reishi). (24E)-3beta,15alpha,22S-Triacetoxylanosta-7,9(11),24-trien-26-oic acid is found in mushrooms. Ganoderic acid T is found in mushrooms. Ganoderic acid T is a constituent of the cultured mycelium of Ganoderma lucidum (reishi)
Cholestane-3,7,12,25-tetrol-3-glucuronide
Cholestane-3,7,12,25-tetrol-3-glucuronide is a natural human metabolite of Cholestane-3,7,12,25-tetrol generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Cholestane-3,7,12,25-tetrol-3-glucuronide is a natural human metabolite of Cholestane-3,7,12,25-tetrol generated in the liver by UDP glucuonyltransferase.
Cyclopyrrhoxanthin
3-Dehydrouriolide
5,6-Epoxy-3-hydroxy-3-methoxy-4,6-didehydro-5,6-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one
Pyrrhoxanthin 5,8-furanoxide
5,8-Epoxy-3-hydroxy-3-methoxy-4,6-didehydro-5,8-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one
3beta,15alpha,22S-Triacetoxylanosta-7,9(11),24E-trien-26-oic acid
5beta-cholestane-3alpha,7alpha,12alpha,23-tetrol-23-glucuronide
furost-2alpha,3beta,22beta-triol 26-O-beta-D-glucopyranoside|hirtifolioside C2
3-methoxy-3-hydroxy-5,8-epoxy-5,8-dihydro-5,6-seco-4,6-cyclo-beta,beta-caroten-5-one|3-Methoxy-3-hydroxy-5,8-epoxy-5,8-dihydro-5,6-seco-4,6-cyclo-??,??-caroten-5-one
(24R)-241-O-beta-(4-O-methyl-D-xylopyranosyl)-24-methyl-5alpha-cholestane-3beta,4beta,6alpha,15beta,241-pentol|certonardoside H2
2-methoxy-3,1-dihydroxy-beta,psi-caroten-4-one|2-methoxyflexixanthin
tenuifolioside B
11alpha,16beta,22,24-tetrahydroxycholest-5-en-3beta-yl beta-D-glucopyranoside
(20R,22R)-22-[(beta-D-glucopyranosyl)oxy]-3beta,14alpha,20-trihydoxy-5alpha-cholestan-6-one
(22S,25R)-3beta,11alpha,16beta,22-tetrahydroxycholest-5-en-26-yl beta-D-glucopyranoside
(23R,24S)-3-[(beta-D-glucopyranosyl)oxy]-16beta,23,24-trihydroxy-5alpha-cholestan-6-one
dryobalanolide triacetate|triacetyl dryobalanolide
limnantheoside A
all-trans-(9Z,11Z)-(3R,3S,5R,6R)-Pyrrhoxanthin|Pyrrhoxanthin
echinasteroside C
(20R,22E)-3-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-26,27-dinor-24-methyl-5alpha-cholest-22-ene-3beta,4beta,6beta,8,15alpha,25-hexaol|tumidoside A
Di-Ac,di-Me ester-(2alpha,3beta)-2,3-Dihydroxy-12,18-oleanadiene-24,28-dioic acid
(25R)-5beta-spirostane-1beta,2beta,3beta,4beta,5beta-pentol 1-O-beta-D-xylopyranoside
Phe Tyr Lys Arg
Phe Lys Arg Tyr
Phe Lys Tyr Arg
Phe Arg Lys Tyr
Phe Arg Tyr Lys
Phe Tyr Arg Lys
Lys Phe Arg Tyr
Lys Phe Tyr Arg
Lys Arg Phe Tyr
Lys Arg Tyr Phe
Lys Tyr Phe Arg
Lys Tyr Arg Phe
Arg Phe Lys Tyr
Arg Phe Tyr Lys
Arg Lys Phe Tyr
Arg Lys Tyr Phe
Arg Tyr Phe Lys
Arg Tyr Lys Phe
Tyr Phe Lys Arg
Tyr Phe Arg Lys
Tyr Lys Phe Arg
Tyr Lys Arg Phe
Tyr Arg Phe Lys
Tyr Arg Lys Phe
pyrrhoxanthin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
3b,15a,22S-Triacetoxylanosta-7,9(11),24E-trien-26-Oic acid
Tenuifolioside A
5,6-Epoxy-3-hydroxy-3-methoxy-4,5-didehydro-5,6-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one
(9Z)-5,6-Epoxy-3-hydroxy-3-methoxy-4,5-didehydro-5,6-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one
5,8-Epoxy-3-hydroxy-3-methoxy-4,5-didehydro-5,8-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one
4-[2-(1-docosylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline,bromide
Lasalocid Sodium
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic D049990 - Membrane Transport Modulators D007476 - Ionophores Lasalocid sodium (Lasalocid-A sodium) is an antibacterial agent.
4-o-benzyl-3-(-)-carboxymenthyl-1,2:5,6-di-o-cyclohexylidene-l-myo-inositol
[2,4,6-Triisopropyl-phenylsulfonyl-L-[3-amidino-phenylalanine]]-piperazine-N-beta-alanine
7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid
1-cyclohexyl-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
C37H48N4O4 (612.3675367999999)
1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
C33H48N4O7 (612.3522817999999)
1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
C33H48N4O7 (612.3522817999999)
1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
C34H52N4O6 (612.3886652000001)
1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
C33H48N4O7 (612.3522817999999)
1-(1,3-benzodioxol-5-yl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
C33H48N4O7 (612.3522817999999)
[(E)-3-hydroxy-2-[[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]amino]oct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxydodecyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[(4E,8E,12E)-3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]pentadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[(4E,8E)-2-[[(9Z,12Z)-hexadeca-9,12-dienoyl]amino]-3-hydroxydodeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[3-hydroxy-2-[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]amino]decyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[(E)-2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxydodec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[(E)-3-hydroxy-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]dec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
[1-octanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[3-hydroxy-2-[[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]amino]octyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[(4E,8E,12E)-3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]tetradeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
(1-phosphonooxy-3-tetradecanoyloxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-phosphonooxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[(4E,8E,12E)-3-hydroxy-2-[[(Z)-tridec-8-enoyl]amino]pentadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[(4E,8E,12E)-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxyhexadeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C33H61N2O6P (612.4267015999999)
[1-phosphonooxy-3-[(E)-tetradec-9-enoyl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[1-phosphonooxy-3-[(7E,9E)-tetradeca-7,9-dienoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (7E,10E,13E,16E)-icosa-7,10,13,16-tetraenoate
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
(1-phosphonooxy-3-tetradecanoyloxypropan-2-yl) (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (7E,10E,13E,16E)-icosa-7,10,13,16-tetraenoate
2-[hydroxy-[3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoxy]-2-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-heptanoyloxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-hexanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
BisMePA(28:4)
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JWG-071
JWG-071 is the kinase-selective chemical probe for ERK5. JWG-071 inhibits ERK5 and LRRK2 with IC50 values of 88nM and 109 nM, respectively[1].
(1r,2r,3r,4s,5r,6s,7s,8r,10s,11s,14r)-5,11-bis(acetyloxy)-14-(butanoyloxy)-6,10-dihydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-4-yl butanoate
7,9-bis(acetyloxy)-3b,6,6,9a,11a-pentamethyl-1-[5-oxo-6-(propan-2-ylidene)oxan-3-yl]-1h,2h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,15,16-triol
1-[(1r,9s,10r,11r,12e,17s)-12-ethylidene-10-[(1r,13s,19s,21r)-14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-9-yl]-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-trien-8-yl]ethanone
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 hexadeca-2,4,6-trienoate
7-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-1-(6-hydroxy-5-methylhex-3-en-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-3,3b,5,6-tetrol
1-[(5s)-2-[(1e,3e,5e,7e,9e,11e,13e,15z,17e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-5-methoxy-3,3-dimethylcyclopent-1-en-1-yl]ethanone
(1r,2s,4s,6r,7s,8r,9s,12s,13s,15r,16r,18s)-7,9,13-trimethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,15,16-triol
(1r,2s,4s,6s,7s,8r,9s,12s,13s,15r,16r,18s)-7,9,13-trimethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,15,16-triol
3-methoxy-3'-hydroxy-5',8'-epoxy-5',8'-dihydro-5,6-seco-4,6-cyclo-β,β-caroten-5-one
{"Ingredient_id": "HBIN008788","Ingredient_name": "3-methoxy-3'-hydroxy-5',8'-epoxy-5',8'-dihydro-5,6-seco-4,6-cyclo-\u03b2,\u03b2-caroten-5-one","Alias": "NA","Ingredient_formula": "C41H56O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(9'z)-3-methoxy-3'-hydroxy-5',6'-epoxy-5',6'-dihydro-5,6-seco-4,6-cyclo-β,β-caroten-5-one
{"Ingredient_id": "HBIN014201","Ingredient_name": "(9'z)-3-methoxy-3'-hydroxy-5',6'-epoxy-5',6'-dihydro-5,6-seco-4,6-cyclo-\u03b2,\u03b2-caroten-5-one","Alias": "NA","Ingredient_formula": "C41H56O4","Ingredient_Smile": "CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC3=C(C(CC3(C)C)OC)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13950","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(all-e)-3-methoxy-3'-hydroxy-5',6'-epoxy-5',6'-dihydro-5,6-seco-4,6-cyclo-β,β-caroten-5-one
{"Ingredient_id": "HBIN015199","Ingredient_name": "(all-e)-3-methoxy-3'-hydroxy-5',6'-epoxy-5',6'-dihydro-5,6-seco-4,6-cyclo-\u03b2,\u03b2-caroten-5-one","Alias": "NA","Ingredient_formula": "C41H56O4","Ingredient_Smile": "CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC3=C(C(CC3(C)C)OC)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13's,14's,15's,16's,17's,18'r)-5,7',9',13'-tetramethyl-17'-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',15',16',18'-tetrol
(6s)-6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e,23s)-24-hydroxy-23-methoxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
(1'r,2r,4's,5s,8'r,10'z,13'r,14'z,21'r,24's)-21'-hydroxy-5,6,11',13'-tetramethyl-2'-oxo-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',22'-trien-22'-ylmethyl 3-methylbut-2-enoate
(1r,2s,6r,10s,11r,12s,13s,15r)-12-[(acetyloxy)methyl]-1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl (3e,5e)-tetradeca-3,5-dienoate
5-[(2s,6s,10s,14s,18s)-6,10,14,18,22-pentamethyltricosan-2-yl]-4,10-dithiatricyclo[7.3.0.0³,⁷]dodeca-1(9),3(7),5,11-tetraene-2,8-dione
(1r)-4-[(3e,5e,7e,9e)-11-[(2z)-4-[(1e)-2-[(1r,2r,4s)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]ethenyl]-5-oxofuran-2-ylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-yn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl acetate
1-(5-{[(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]methyl}-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,6,7-tetrol
1-[(1r,9s,10r,11r,12e,17s)-12-ethylidene-10-[(1r,13s,14e,19s,21r)-14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-9-yl]-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-trien-8-yl]ethanone
(2e,4e)-n-[n-(4-carbamimidamidobutyl)carbamimidoyl]-5-[(1r,2s)-2-[(1e)-2-{[n-(4-carbamimidamidobutyl)carbamimidoyl]-c-hydroxycarbonimidoyl}-2-methyleth-1-en-1-yl]-1,4-dimethylcyclohex-3-en-1-yl]-2-methylpenta-2,4-dienimidic acid
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(7-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
(2s,3s,4s,5r,6r)-n-{3-[(4-aminobutyl)amino]propyl}-3-{[(2r)-3-carbamimidamido-1-hydroxy-2-{[1-hydroxy-2-(methylamino)ethylidene]amino}propylidene]amino}-4,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboximidic acid
C24H44N12O7 (612.3455753999999)
(1r,2r,4s,6s,7s,8r,9s,12s,13s,15s,16s,18r)-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,15,16-triol
5,11-bis(acetyloxy)-14-(butanoyloxy)-6,10-dihydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-4-yl butanoate
(1r,3r,3as,3br,5s,5as,6r,7s,9ar,9bs,11ar)-1-[(2r,5r)-5-({[(2r,3r,4r,5r)-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy}methyl)-6-methylheptan-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,6,7-tetrol
(5z)-5-[(2e,4e,6e,8e,10e,12e)-13-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaen-1-ylidene]-3-{2-[(1r)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]ethyl}furan-2-one
(1s,3br,4r,5as,7r,9s,9as,9bs,11as)-7,9-bis(acetyloxy)-3b,6,6,9a,11a-pentamethyl-1-[(3r)-5-oxo-6-(propan-2-ylidene)oxan-3-yl]-1h,2h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(2r,3s,4s,5r,6r)-n-{3-[(4-aminobutyl)amino]propyl}-3-{[(2r)-3-carbamimidamido-1-hydroxy-2-{[1-hydroxy-2-(methylamino)ethylidene]amino}propylidene]amino}-4,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboximidic acid
C24H44N12O7 (612.3455753999999)
5,7',9',13'-tetramethyl-14'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',16',17',18'-tetrol
(1r)-4-[(3e,5e,7e,9e)-11-[(2z)-4-[(2r,6s,7ar)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-5-oxofuran-2-ylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-yn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl acetate
(1r,2s,4s,6r,7s,8r,9s,12s,13s,15s,16s,18r)-7,9,13-trimethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,15,16-triol
5-(acetyloxy)-6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
(1s,3ar,3br,5as,7s,9ar,9bs,11ar)-1-[(2r,3r)-2,3-dihydroxy-6-methylheptan-2-yl]-3a-hydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-5-one
(1r,2r,3r,3as,3bs,5r,7s,9ar,9br,11ar)-7-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-1-[(2r,6s)-7-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
(2e,5s,6s)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid
1-{2-[16-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-5-methoxy-3,3-dimethylcyclopent-1-en-1-yl}ethanone
3a,8-dihydroxy-9a,11a-dimethyl-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
4-{11-[4-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-5-oxofuran-2-ylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-yn-1-yl}-3,5,5-trimethylcyclohex-3-en-1-yl acetate
1-{2-[(17e)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-5-methoxy-3,3-dimethylcyclopent-1-en-1-yl}ethanone
4,21',24'-trihydroxy-5,11',13',22'-tetramethyl-6-(4-methylpent-2-en-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one
(1r,3s,3as,3bs,5r,5as,6r,7s,9as,9br,11ar)-7-{[(2s,3r,4s,5r)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy}-1-[(2r,3e,5s)-6-hydroxy-5-methylhex-3-en-2-yl]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-3,3b,5,6-tetrol
(1r,2r,4s,6s,7s,8r,9s,12s,13s,15s,16s,18r)-7,9,13-trimethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,15,16-triol
(1r,2r,3r,4s,5r,6s,7s,8r,10s,11s,14s)-5,11-bis(acetyloxy)-14-(butanoyloxy)-6,10-dihydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-4-yl butanoate
(1r,4s,7s,10s,14s)-5,12-dihydroxy-4-[(2s)-4-hydroxybutan-2-yl]-10-[(2r,5s)-5-hydroxyoctan-2-yl]-1,3,7,11,11,14-hexamethyl-9-oxa-16-thia-3,6,13,18-tetraazabicyclo[13.2.1]octadeca-5,12,15(18)-triene-2,8-dione
(1s,3ar,3br,5as,7s,9ar,9bs,11ar)-1-[(3r)-2,3-dihydroxy-6-methylheptan-2-yl]-3a-hydroxy-9a,11a-dimethyl-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-5-one
(1s,3ar,3br,5as,7s,9ar,9bs,11ar)-1-[(2r,3r)-2,3-dihydroxy-6-methylheptan-2-yl]-3a-hydroxy-9a,11a-dimethyl-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-5-one
2-methyl-6-[3,7,11-tris(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]hept-2-enoic acid
6-hydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-24-hydroxy-23-methoxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
4-{11-[4-(2-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}ethenyl)-5-oxofuran-2-ylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-yn-1-yl}-3,5,5-trimethylcyclohex-3-en-1-yl acetate
4-{11-[4-(2-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}ethenyl)-5-oxofuran-2-ylidene]-3,10-dimethylundeca-3,5,7,9-tetraen-1-yn-1-yl}-3,5,5-trimethylcyclohex-3-en-1-yl acetate
(2e,5s,6s)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid
1-[2-(18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-5-methoxy-3,3-dimethylcyclopent-1-en-1-yl]ethanone
(5r,6s)-5,6-dihydroxy-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
3-methyl-n-[(2r)-1-oxo-1-{[(5r,6e,8e,10e,13s,14s,15r,16e)-3,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl]butanimidic acid
6-hydroxy-3-(24-hydroxy-23-methoxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl)-2,4,4-trimethylcyclohex-2-en-1-one
(4s,5s,6s,10'e,13'r,14'e,16'e,21'r,24's)-4,21',24'-trihydroxy-5,11',13',22'-tetramethyl-6-[(2e)-4-methylpent-2-en-2-yl]-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one
1,5,12,16,25,28-hexahydroxy-1,6,12,17,24,29-hexaazacyclopentatriaconta-5,16,24,28-tetraene-2,13-dione
n-{3-[(4-aminobutyl)amino]propyl}-3-[(3-carbamimidamido-1-hydroxy-2-{[1-hydroxy-2-(methylamino)ethylidene]amino}propylidene)amino]-4,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboximidic acid
C24H44N12O7 (612.3455753999999)