Exact Mass: 584.3477868
Exact Mass Matches: 584.3477868
Found 423 metabolites which its exact mass value is equals to given mass value 584.3477868
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
lappacontine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Lappaconitine is a diterpenoid.
Cholic acid glucuronide
Cholic acid glucuronide is the glucuronidated metabolite of cholic acid, one of the four main acids produced by the liver where it is synthesized from cholesterol. Upon formation, the glucuronide is rapidly and effectively cleared from the circulation and excreted via urine. (PMID:4020296) [HMDB] Cholic acid glucuronide is the glucuronidated metabolite of cholic acid, one of the four main acids produced by the liver where it is synthesized from cholesterol. Upon formation, the glucuronide is rapidly and effectively cleared from the circulation and excreted via urine. (PMID:4020296). D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3-benzoyl-2-methoxy-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)-5-[5-methyl-2-(1-methylvinyl)hexa-4-enyl]exo-bicyclo[3.3.1]non-2-ene-4,9-dione
1-Deacetylnimbolinin B
12alpha-acetoxypetuniasterone D 7-acetate|Petuniasteron-D-7alpha, 12alpha-diacetat
24-O-beta-D-Xylopyranoside -Cholestane-3,6,8,15,24-pentol
3beta,25-Epoxy-3alpha,21alpha-dihydroxy-22beta-tigloyloxyolean-12-ene-28-oic acid
Di-Ac,Me ester-3beta-3,24-Dihydroxy-11-oxo-12-oleanen-30-oic acid
Ecdysterone 22-O-benzoate
Origin: Plant; SubCategory_DNP: The sterols, Cholestanes
3beta,25-Epoxy-3alpha,21alpha-dihydroxy-22beta-(3-methylbut-2-en-1-oyloxy)olean-12-ene-28-oic acid
(24S)-24-O-beta-D-xylofuranosyl-5alpha-cholestane-3beta,4beta,6alpha,15beta,24-pentol|certonardoside H4
1alpha,14alpha,16beta-trimethoxy-4beta-N-acetylanthroyloxy-6beta,8beta-dihydroxy-N-ethylaconitane|artekorine
7alpha,21beta-diacetoxy-21R?,23R?:24alpha,25-diepoxy-11alpha-hydroxy-4,4,8-trimethyl-cholesta-1,14-dien-3-one|brujavanone A
3alpha-acetoxymultiflora-5(6),7,9(11)-triene-29-benzoate
16,22alpha-diacetoxy-6-hydroxy-29-nor-24-methylcycloart-1, 24(24a)-dien-3,23-dion-3,4-lactone|22alpha-acetoxy-6-hydroxyneomacrolactone
23-hydroxytormentic acid 23-sulfate ester|2alpha,3beta,19alpha,23-tetrahydroxyurs-12-en-28-oic acid 23-sulfate ester
(2R,5S,6S,8R,9R,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2Z,4E)-decadienoyloxy]-6-hydroxycleroda-3,12(E),14-triene|argutin A
3-O-Acetyl-28-acetoxy-glycyrrhetinsaeure-methylester
rel-(1R,2R,3S,3R,4S,5R,5S,7S,10R,11S,13R)-lyngbouilloside
(2R,5S,7S,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2Z,4E)-decadienoyloxy]-7-hydroxycleroda-3,12(E),14-triene|argutin E
Aralionin-C|aralionine-C|N,N-dimethyl-L-isoleucine (4S)-7t-((R)-hydroxy-phenyl-methyl)-5,8-dioxo-3t-phenyl-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide
27-O-(tert-Butyldimethylsilyl)withaferin A
27-O-(tert-Butyldimethylsilyl)withaferin A is a natural product found in Withania aristata with data available.
12b-O-[deca-2E,4Z-dienoyl]-13a-isobutyl-4b-phorbol
12b-O-[deca-2Z,4E-dienoyl]-13a-isobutyl-4b-phorbol
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone
C33H44O9_(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-Triacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate
Lappaconitine
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000848996]
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based: Match]
(2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Phe Lys Lys Tyr
Phe Lys Tyr Lys
Phe Tyr Lys Lys
Lys Phe Lys Tyr
Lys Phe Tyr Lys
Lys Lys Phe Tyr
Lys Lys Tyr Phe
Lys Tyr Phe Lys
Lys Tyr Lys Phe
Tyr Phe Lys Lys
Tyr Lys Phe Lys
Tyr Lys Lys Phe
Cholic acid glucuronide
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
1-O-(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid
(9xi,17xi,22S)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl benzoate
N1-(3,4-dihydroxybenzoyl)-N8,N8-citryl-bis(spermidine)
3-acetyl-7-tigloylvilasinin lactone
A limonoid found in Azadirachta indica.
1-O-(3alpha,6alpha,7alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid
1-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,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]urea
C31H44N4O7 (584.3209833999999)
1-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3S,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-(1,3-benzodioxol-5-yl)-3-[(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]urea
C31H44N4O7 (584.3209833999999)
1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3S,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
C32H48N4O6 (584.3573667999999)
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
6alpha-(beta-D-glucopyranuronosyloxy)-3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(5-hydroxypentanoyloxy)propyl] hexadecanoate
[(E)-3-hydroxy-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]oct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C31H57N2O6P (584.3954031999999)
[2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxydecyl] 2-(trimethylazaniumyl)ethyl phosphate
C31H57N2O6P (584.3954031999999)
[(E)-2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C31H57N2O6P (584.3954031999999)
[(4E,8E,12E)-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxytetradeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C31H57N2O6P (584.3954031999999)
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[3-hydroxy-2-[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]amino]octyl] 2-(trimethylazaniumyl)ethyl phosphate
C31H57N2O6P (584.3954031999999)
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
12b-O-[deca-2Z,4E-dienoyl]-13a-isobutyl-4b-phorbol
12b-O-[deca-2E,4Z-dienoyl]-13a-isobutyl-4b-phorbol
[1-[(6E,9E)-dodeca-6,9-dienoyl]oxy-3-phosphonooxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate
[1-[(E)-dodec-5-enoyl]oxy-3-phosphonooxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
2-[hydroxy-[3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
hyocholic acid 24-O-(beta-D-glucuronide)
A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of hyocholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
cholic acid 24-O-(beta-D-glucuronide)
A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of cholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
1-(1Z-octadecenyl)-glycero-3-phospho-(1-myo-inositol)
hyocholic acid 6-O-(beta-D-glucuronide)
A steroid glucosiduronic acid that is hyocholic acid having a single beta-D-glucuronic acid residue attached at position 6.
BisMePA(26:4)
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1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,6,7-tetrol
(3s,6r,9s,14as)-9-[(2s)-butan-2-yl]-1,4,7-trihydroxy-6-[(4-methoxyphenyl)methyl]-3-{6-[(2s)-oxiran-2-yl]-6-oxohexyl}-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one
C31H44N4O7 (584.3209833999999)
9a,11a-dimethyl-1-{6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-tetradecahydrocyclopenta[a]phenanthrene-3,5,5a,7-tetrol
n-{5-[11,14-dihydroxy-10-(c-hydroxycarbonimidoyloxy)-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]-3-methylhexa-1,3-dien-1-yl}-3-methylbut-2-enimidic acid
(2s,3r,6r)-2-[(2r,4s,5r,7s,8s,11s,12s,14s,15r,16r)-14-(acetyloxy)-5-hydroxy-7,12,16-trimethyl-6-oxopentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadec-1(18)-en-15-yl]-7-hydroxy-6-methyl-5-methylidene-4-oxoheptan-3-yl acetate
3,5-dihydroxy-4,4-dimethyl-2-(2-methylpropanoyl)-6-{[(2s,3r)-3,5,7-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-3,4-dihydro-1-benzopyran-6-yl]methyl}cyclohexa-2,5-dien-1-one
(1s,2s,3ar,4s,5s,9r,11r,13as)-4,9,11-tris(acetyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(11e,13e)-7,16-diethyl-4,6-dihydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
(2s)-n-[(3s,4s,7r,10z)-5,8-dihydroxy-7-[(r)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid
(1r,2r,3ar,4r,5r,9r,11r,13as)-4,9,11-tris(acetyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1s,3r,5r,6as,7r,8r,10r,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (4e)-deca-2,4-dienoate
1,6-dihydroxy-4,12,12,15-tetramethyl-8-{[(2-methylbut-2-enoyl)oxy]methyl}-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl decanoate
1,3-bis(acetyloxy)-9-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl deca-2,4-dienoate
(1r,3r,5s,6ar,7r,8s,10s,10ar)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4z)-deca-2,4-dienoate
1,5,12,16,24,27-hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,23,27-tetraene-2,13-dione
(3s,5r)-3-[(1s,2r,3r,5r,6r,9s,14s,15r,18s,19s)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]docosa-11,16-dien-19-yl]-5-[(1e)-3-hydroxy-2-methylprop-1-en-1-yl]oxolan-2-one
2-[(1z,2s,3as,3bs,5s,5as,6s,9ar,9bs,11ar)-5-(acetyloxy)-3a,3b,6,9a-tetramethyl-4,7-dioxo-2-(propanoyloxy)-decahydro-2h-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid
(1r,2s,6r,10s,11r,13s,15r)-1,6-dihydroxy-4,12,12,15-tetramethyl-8-({[(2e)-2-methylbut-2-enoyl]oxy}methyl)-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl decanoate
n-[(1e,3e,5r)-5-[(2r,4z,6e,10r,11r,12z,14r,18z)-11,14-dihydroxy-10-(c-hydroxycarbonimidoyloxy)-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]-3-methylhexa-1,3-dien-1-yl]-3-methylbut-2-enimidic acid
10-hydroxy-4-o-methyl-2,11-diundecylgomphi-lactone
{"Ingredient_id": "HBIN000127","Ingredient_name": "10-hydroxy-4-o-methyl-2,11-diundecylgomphi-lactone","Alias": "NA","Ingredient_formula": "C35H52O7","Ingredient_Smile": "CCCCCCCCCCCC1=C(C(=C2C3=CC(=C(C(=C3OC2=O)CCCCCCCCCCC)O)OC)OC1=O)O","Ingredient_weight": "584.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10484","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "54716641","DrugBank_id": "NA"}
1-deacetylnimbolinin b
{"Ingredient_id": "HBIN002468","Ingredient_name": "1-deacetylnimbolinin b","Alias": "NA","Ingredient_formula": "C33H44O9","Ingredient_Smile": "CC=C(C)C(=O)OC1C2C3C(CO2)(C(CC(C3(C4C1(C5=C(C(CC5OC(C4)O)C6=COC=C6)C)C)C)O)OC(=O)C)C","Ingredient_weight": "584.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91895443","DrugBank_id": "NA"}
(2s)-1-stearoyl-3-o-(6-sulpho-α-d-quinovopyra-nosyl)-glycerol
{"Ingredient_id": "HBIN006571","Ingredient_name": "(2s)-1-stearoyl-3-o-(6-sulpho-\u03b1-d-quinovopyra-nosyl)-glycerol","Alias": "NA","Ingredient_formula": "C27H52O11S","Ingredient_Smile": "CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20266","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}