Exact Mass: 600.2107702
Exact Mass Matches: 600.2107702
Found 303 metabolites which its exact mass value is equals to given mass value 600.2107702
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
100-2
Mudanpioside C
Mudanpioside C is a monoteepenoid isolated from Paeonia lactiflora Pall . Mudanpioside C is a monoteepenoid isolated from Paeonia lactiflora Pall .
Benzoyloxypeoniflorin
Beta-benzoyloxypaeoniflorin is a monoterpene glycoside with formula C30H32O13, isolated from several species of Paeoniae. It has a role as a plant metabolite, a platelet aggregation inhibitor and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a 4-hydroxybenzoate ester, an O-acyl carbohydrate, a beta-D-glucoside, a bridged compound, a cyclic acetal, a lactol and a monoterpene glycoside. Benzoyloxypaeoniflorin is a natural product found in Paeonia suffruticosa with data available. A monoterpene glycoside with formula C30H32O13, isolated from several species of Paeoniae.
2,3-Dihydro-9-hydroxy-2-[1-(6-feruloyl)-beta-D-glucosyloxy-1-methylethyl]-7H-furo[3,2-g][1]benzopyran-7-one
(rel)-1beta,2alpha-di-(2,4-dihydroxy-6-methoxybenzoyl)-3beta,4alpha-di-(4-methoxyphenyl)-cyclobutane
2-tetrahydro-3(deca-2E,4E-dienoate)-4-hydroxy-2-methyl-6H-pyran-6yl-1,6,10-trihydroxy-8-methyl-naphthacene-5,12-dione
(2S*,3S*,4R*,5R*,6R*,7S*,8R*,12R*,13S*,14R*,15R*)-5-angeloyloxy-3-benzoyloxy-6,14:8,14-diepoxy-7,13,15,17-tetrahydroxy-9-oxo-15-epi presegetane
protocatechuoylcalleryanin-3-O-beta-D-glucopyranoside
(3aS,5S,5aS,6S,8S,9aS,10S,10aR,10bS)-10b-[(acetyloxy)methyl]-10-(benzoyloxy)-3a,4,5,5a,6,8,9,10,10a,10b-decahydro-5,6,8-trihydroxy-2,2,5a,7,11,11-hexamethyl-6,9a-(methanoxymethano)-9aH-cyclopenta[6,7]naphtho[1,2-d]-1,3-dioxol-13-one|tasumatrol Q
5beta-benzoyl-4alpha-hydroxy-1beta,8alpha-dinicotinoyl-dihydroagarofuran
1,2-Bis(2,4-dihydroxy-6-methoxybenzoyl)-3,4-bis(4-methoxyphenyl)cyclobutane
davidigenin-2-O-(6-O-syringoyl)-beta-glucopyranoside
3-Hydroxyanhydrophlegmacin-9,10-quinone A2 5-methyl ether
(S)-alpha-terpinyl [alpha-L-(2-O-galloyl)arabinofuranosyl]-(1->6)-beta-D-glucopyranoside
Linderaspirone A
5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
C31H36O12_8-Acetoxy-2,2,2,9,13-pentamethyl-6-methylene-6,11,15,16-tetraoxodihydro-4H-spiro[pyran-3,5-[10,14,17]trioxapentacyclo[7.6.1.1~7,12~.0~1,12~.0~2,7~]heptadecan]-3-yl (2E)-2-methyl-2-butenoate
5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000846555]
5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based: Match]
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12S-acetoxy-punaglandin 2
C29H41ClO11 (600.2337266000001)
12S-acetoxy-punaglandin 2
DICHLORO(O-ISOPROPOXYPHENYLMETHYLENE)(TRICYCLOHEXYLPHOSPHINE)RUTHENIUM(II)
METHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE
14b-(p-chlorocinnamoylamino)-7,8-dihydro-n-cyclopropylmethylmorphinone mesylate
Torcetrapib
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D009676 - Noxae > D000963 - Antimetabolites Torcetrapib (CP-529414) is a selective, potent cholesteryl ester transfer protein (CETP) inhibitor. A typical inhibition curve for whole human plasma, having a CETP concentration of 37 nM[1].
Dersalazine
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C308 - Immunotherapeutic Agent
calcium pangamate
C20H36CaN2O16 (600.1690646000001)
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12A - Calcium > A12AA - Calcium
alpha-Neup5Ac-(2->8)-beta-Neup5Ac
alpha-Neu5Ac-(2->8)-Neu5Ac in which the configuration at the anomeric carbon atom of the residue at the reducing end is beta.
N-[N-Benzyloxycarbonyl-phenylalaninyl]-3-amino-5-phenyl-pentane-1-sulfonic acid phenyl ester
C34H36N2O6S (600.2293956000001)
(31R)-8-ethyl-12-methylbacteriochlorophyllide e
C34H32MgN4O5-2 (600.2223081999999)
magnesium;3-[(21S,22S)-26-ethyl-16-[(1R)-1-hydroxyethyl]-12,17,21-trimethyl-4-oxido-11-propyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate
sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
(1R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
C33H33FN4O6 (600.2384010000001)
(2S,3S,4S,5E)-4-(2-carboxylatoethyl)-5-[2-({5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl}methyl)-3-methyl-4,5-dioxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-3-methylpyrrolidine-2-carboxylate
2-acetamido-2-deoxy-beta-D-galactosyl-(1->6)-[beta-D-glucuronosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galactose
3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
C30H31F3N4O6 (600.2195581999999)
2-cyano-N-[[(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]-N-methylbenzenesulfonamide
3-cyano-N-[[(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]-N-methylbenzenesulfonamide
4-cyano-N-[[(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]-N-methylbenzenesulfonamide
2-cyano-N-[[(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]-N-methylbenzenesulfonamide
3-cyano-N-[[(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]-N-methylbenzenesulfonamide
(3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8-trihydroxy-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
3-cyano-N-[[(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]-N-methylbenzenesulfonamide
3-cyano-N-[[(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]-N-methylbenzenesulfonamide
1-[[(2R,3S)-8-[(4-chlorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C29H33ClN4O6S (600.1809228000001)
1-[[(2R,3S)-8-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C29H33ClN4O6S (600.1809228000001)
1-[[(2S,3S)-8-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C29H33ClN4O6S (600.1809228000001)
1-[[(2R,3R)-8-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C29H33ClN4O6S (600.1809228000001)
2-cyano-N-[[(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]-N-methylbenzenesulfonamide
3-cyano-N-[[(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]-N-methylbenzenesulfonamide
4-cyano-N-[[(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]-N-methylbenzenesulfonamide
4-cyano-N-[[(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]-N-methylbenzenesulfonamide
2-cyano-N-[[(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]-N-methylbenzenesulfonamide
4-cyano-N-[[(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]-N-methylbenzenesulfonamide
1-[[(2S,3R)-8-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C29H33ClN4O6S (600.1809228000001)
1-[[(2R,3R)-8-[(4-chlorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C29H33ClN4O6S (600.1809228000001)
1-[[(2S,3R)-8-[(4-chlorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C29H33ClN4O6S (600.1809228000001)
4,4,4-trifluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
1-[[(2S,3S)-8-[(4-chlorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C29H33ClN4O6S (600.1809228000001)
2-cyano-N-[[(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]-N-methylbenzenesulfonamide
3-cyano-N-[[(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]-N-methylbenzenesulfonamide
3-cyano-N-[[(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]-N-methylbenzenesulfonamide
4-cyano-N-[[(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]-N-methylbenzenesulfonamide
4-cyano-N-[[(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]-N-methylbenzenesulfonamide
4-cyano-N-[[(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]-N-methylbenzenesulfonamide
(1S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
C33H33FN4O6 (600.2384010000001)
beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-D-GlcpNAc
beta-D-GlcpNAc-(1->6)-[beta-D-GlcpA-(1->3)]-beta-D-GlcpNAc
5-acetamido-9-O-(5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-9-yl]oxy]oxan-2-yl]methoxy]oxane-2-carboxylic acid
6-[[2-(2,4-dihydroxyphenyl)-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2-[7-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrouro[3,2-g]chromen-2-yl]propan-2-yloxy]oxane-2-carboxylic acid
[(2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
5,6-Dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
alpha-Neu5Ac-(2->8)-Neu5Ac
An amino disaccharide consisting of two N-acetylneuraminic acid residues joined by an (alpha-2->8)-linkage.
alpha-benzoyloxypaeoniflorin
A monoterpene glycoside with formula C30H32O13, originally isolated from Paeonia suffruticosa.
oxidized dinoflagellate luciferin(2-)
A dicarboxylic acid dianion that results from the removal of a proton from each of the carboxylic acid groups of oxidized dinoflagellate luciferin.
alpha-Neup5Ac-(2->8)-alpha-Neup5Ac
alpha-Neu5Ac-(2->8)-Neu5Ac in which the configuration at the anomeric carbon atom of the residue at the reducing end is alpha
(1s,2r,5r,6r,11s,13r,14s,16r)-13-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-5,15,15-trimethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-9-en-14-yl 2-methylpropanoate
(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's,16'r)-2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate
[(1r,2s,3r,5r,6r,8s)-3-{[(2r,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl 4-hydroxybenzoate
[(2s,3s,5s,6r,8s)-3-{[(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl 4-hydroxybenzoate
(1r,5s,8s,10s,11s,12r,13s,16r,18s)-13,18-bis(acetyloxy)-5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate
(2r,3s,4s,5r,6s)-5-(acetyloxy)-4-hydroxy-6-{4'-hydroxy-2',2',4',6'-tetramethyl-1',3'a-dihydrospiro[cyclopropane-1,5'-inden]-3'-oneoxy}-2-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
methyl (1s,2s,5s,7s)-2-[(3r,3ar,4r,7r,7ar)-4-[(r)-(acetyloxy)(furan-3-yl)methyl]-7a-formyl-4-methyl-2-oxo-3-propanoyl-tetrahydro-3h-1-benzofuran-7-yl]-2,8,8-trimethyl-3-oxo-6-oxabicyclo[3.2.1]octane-7-carboxylate
4-(acetyloxy)-10-[(acetyloxy)methyl]-9,11,14-trihydroxy-13,16,16-trimethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0¹,¹².0³,¹⁰.0⁴,⁷]octadec-12-en-2-yl benzoate
(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-15-[(1r)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
(1s,2r,4s,5r,9r,10r,13r,14s,15s,17s)-9-(furan-3-yl)-1-hydroxy-15-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2z)-2-methylbut-2-enoate
6,7-dimethoxy-2-phenyl-4-[(5,6,7-trimethoxy-2-phenyl-3,4-dihydro-2h-1-benzopyran-4-yl)oxy]-3,4-dihydro-2h-1-benzopyran-5-ol
(6r,9r,10s)-9-[(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)(methoxy)methyl]-2,3,8-trimethoxy-6,10-diphenylspiro[4.5]deca-2,7-diene-1,4-dione
(1s,2s,5s,6s,7s,9r,12r)-12-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-5-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate
15-[1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
(1r,2r,3s,8r,11r,12r,14r,16s,17r,18r,19r)-3,18-bis(acetyloxy)-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,10-dioxo-6,13-dioxapentacyclo[9.8.0.0²,⁸.0¹²,¹⁴.0¹²,¹⁷]nonadecan-19-yl acetate
1-(3-{[2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}-3-[3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]-2-oxopropyl)-3-ethylideneazetidine-2-carboxylic acid
C23H32N6O13 (600.2027261999999)
(1s,2s,3r,4s,8s,10s,11s,12r,15s)-4-[(acetyloxy)methyl]-10,12,15-trihydroxy-6,6,11,14,17,17-hexamethyl-19-oxo-5,7,18-trioxapentacyclo[10.4.3.0¹,¹³.0³,¹¹.0⁴,⁸]nonadec-13-en-2-yl benzoate
(1r,5s,8s,10s,11s,12s,13s,16r,18s)-13,18-bis(acetyloxy)-5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate
(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 4-hydroxy-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
(1r,2r,4s,8r,9r,10r,12s,16s,21r)-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-5,14,19-trioxo-11,15,18-trioxapentacyclo[10.9.0.0²,¹⁰.0⁴,⁸.0¹⁶,²¹]henicosan-9-yl (3r)-2-hydroxy-3-methylpentanoate
{3,4,5-trihydroxy-6-[(2-{9-hydroxy-7-oxo-2h,3h-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
19-hydroxy-13-oxobaccatin iii
{"Ingredient_id": "HBIN002191","Ingredient_name": "19-hydroxy-13-oxobaccatin iii","Alias": "NA","Ingredient_formula": "C31H36O12","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1=O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C","Ingredient_weight": "600.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10557","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5318305","DrugBank_id": "NA"}
5 alpha-Benzoyl-4 alpha-hydroxy-1 beta,8 alpha-dinicotinoyl-dihydro-agarofuran
{"Ingredient_id": "HBIN011408","Ingredient_name": "5 alpha-Benzoyl-4 alpha-hydroxy-1 beta,8 alpha-dinicotinoyl-dihydro-agarofuran","Alias": "5 alpha-benzoyl-4 alpha-hydroxy-1 beta,8 alpha-dinicotinoyl-dihydro-agarofuran","Ingredient_formula": "C34H36N2O8","Ingredient_Smile": "Not Available","Ingredient_weight": "600.72","OB_score": "35.26387229","CAS_id": "NA","SymMap_id": "SMIT00871","TCMID_id": "25199","TCMSP_id": "MOL003198","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-benzoyloxypaeoniflorin
{"Ingredient_id": "HBIN015389","Ingredient_name": "alpha-benzoyloxypaeoniflorin","Alias": "NA","Ingredient_formula": "C30H32O13","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)O)O)O)O","Ingredient_weight": "600.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "16289;19478","PubChem_id": "46883189","DrugBank_id": "NA"}
benzoyloxypaeoniflorin
{"Ingredient_id": "HBIN017826","Ingredient_name": "benzoyloxypaeoniflorin","Alias": "benzoyl-oxypaeoniflorin","Ingredient_formula": "C30H32O13","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)O)O)O)O","Ingredient_weight": "600.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14448","TCMID_id": "33123;2263","TCMSP_id": "NA","TCM_ID_id": "6363","PubChem_id": "137321131","DrugBank_id": "NA"}
beta-benzoyloxypaeoniflorin
{"Ingredient_id": "HBIN017980","Ingredient_name": "beta-benzoyloxypaeoniflorin","Alias": "NA","Ingredient_formula": "C30H32O13","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)O)O)O)O","Ingredient_weight": "600.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20999","PubChem_id": "46883190","DrugBank_id": "NA"}
(1s,2r,4r,5s,6s,10r,11r,13r,14r,15s,18s,20r)-15,20-bis(acetyloxy)-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3-oxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-8-en-4-yl acetate
4-[(3s,3'r,4r,6's,7s)-7-(acetyloxy)-4-[(2e,4e,6e)-deca-2,4,6-trienoyloxy]-6',7-dimethyl-6,8-dioxo-4h-spiro[2-benzopyran-3,2'-oxan]-3'-yloxy]-4-oxobutanoic acid
methyl (1r,2r,4s,8s,9s,11s,13r,14r,15r,17r)-8-(furan-3-yl)-1-hydroxy-9,13,18,18-tetramethyl-17-{[(2r)-2-methylbutanoyl]oxy}-19-methylidene-6,12-dioxo-3,7,16-trioxapentacyclo[12.2.2.1⁴,¹¹.0²,¹³.0⁴,⁹]nonadecane-15-carboxylate
methyl (1s,2s,5s,7r)-2-[(3r,3ar,4r,7r,7ar)-4-[(r)-(acetyloxy)(furan-3-yl)methyl]-7a-formyl-4-methyl-2-oxo-3-propanoyl-tetrahydro-3h-1-benzofuran-7-yl]-2,8,8-trimethyl-3-oxo-6-oxabicyclo[3.2.1]octane-7-carboxylate
4-[(1s,2s,3r,4r)-2-(2,4-dihydroxy-6-methoxybenzoyl)-3,4-bis(4-methoxyphenyl)cyclobutanecarbonyl]-5-methoxybenzene-1,3-diol
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(2s)-9-hydroxy-7-oxo-2h,3h-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1r,2r,4s,5r,9r,10r,13r,14s,15s,17r)-15-[(1r)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
(1s,2s,4s,7r,9s,10r,11s,14s)-4-(acetyloxy)-10-[(acetyloxy)methyl]-9,11,14-trihydroxy-13,16,16-trimethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0¹,¹².0³,¹⁰.0⁴,⁷]octadec-12-en-2-yl benzoate
(2r,3s,4s,5r,6s)-5-(acetyloxy)-4-hydroxy-6-{4'-hydroxy-2',2',4',6'-tetramethyl-1',3'a-dihydrospiro[cyclopropane-1,5'-inden]-3'-oneoxy}-2-(hydroxymethyl)oxan-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
(1r,2r,4s,9r,10r,13r,14s,15s,17r)-15-[(1r)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
(3r,4ar,12bs)-12b-{[(2s,5s,6s)-5-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3,4a,8-trihydroxy-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
(1r,2s,3r,4s,5r,7s,9s,10r,13r,14r,17s)-17-formyl-17-hydroxy-2,2',2',10,14-pentamethyl-6-methylidene-6',12,16-trioxo-8,11,15,18-tetraoxaspiro[hexacyclo[8.6.1.1³,¹³.0¹,¹³.0²,⁷.0⁷,⁹]octadecane-5,3'-pyran]-4-yl (2e)-2-(hydroxymethyl)but-2-enoate
[(1r,2s,3s,5s,6r,8s)-3-{[(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl 4-hydroxybenzoate
(3z)-1-(2-{[2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}-2-[3,4-dihydroxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]acetyl)-3-ethylideneazetidine-2-carboxylic acid
C23H32N6O13 (600.2027261999999)
4-hydroxy-5-(hydroxymethyl)-2-[(3,4,5-trihydroxy-6-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxan-2-yl)methoxy]oxolan-3-yl 3,4,5-trihydroxybenzoate
(1s,2s,3s,4s,7r,9s,10r,11s,14s)-4-(acetyloxy)-10-[(acetyloxy)methyl]-9,11,14-trihydroxy-13,16,16-trimethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0¹,¹².0³,¹⁰.0⁴,⁷]octadec-12-en-2-yl benzoate
(2r,3r,4s,5s)-4-hydroxy-5-(hydroxymethyl)-2-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(1s)-4-methylcyclohex-3-en-1-yl]propan-2-yl}oxy)oxan-2-yl]methoxy}oxolan-3-yl 3,4,5-trihydroxybenzoate
4-[(3r,3'r,4s,6's,7s)-7-(acetyloxy)-4-[(2e,4e,6e)-deca-2,4,6-trienoyloxy]-6',7-dimethyl-6,8-dioxo-4h-spiro[2-benzopyran-3,2'-oxan]-3'-yloxy]-4-oxobutanoic acid
4-[(3s,3's,4r,6'r,7s)-7-(acetyloxy)-4-[(2e,4e,6e)-deca-2,4,6-trienoyloxy]-6',7-dimethyl-6,8-dioxo-4h-spiro[2-benzopyran-3,2'-oxan]-3'-yloxy]-4-oxobutanoic acid
2,24-dimethyl 23-hydroxy-13,14-bis(2-hydroxypropan-2-yl)-3,10-dioxo-15-oxahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁷,²²]pentacosa-4,6,8,11,16(25),17,19,21,23-nonaene-2,24-dicarboxylate
9-(furan-3-yl)-5,19-dihydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰.0¹⁴,¹⁹]icosan-20-yl 2-methylbut-2-enoate
(1s,9r,17r)-4,5,9-trihydroxy-17-methoxy-15-[(1s,9s,17r)-4,5,9-trihydroxy-14-oxo-11-oxatetracyclo[7.7.1.0¹,¹².0²,⁷]heptadeca-2,4,6,12,15-pentaen-17-yl]-11-oxatetracyclo[7.7.1.0¹,¹².0²,⁷]heptadeca-2,4,6,12,15-pentaen-14-one
7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-5,14,19-trioxo-11,15,18-trioxapentacyclo[10.9.0.0²,¹⁰.0⁴,⁸.0¹⁶,²¹]henicosan-9-yl 2-hydroxy-3-methylpentanoate
(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,14,16-tris(acetyloxy)-9-(chloromethyl)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-12-yl acetate
methyl 5-(furan-3-yl)-1-hydroxy-4,14,14,18-tetramethyl-13-[(2-methylbutanoyl)oxy]-19-methylidene-7,12-dioxo-6,10,17-trioxapentacyclo[9.6.1.1²,⁹.0⁴,⁹.0¹⁵,¹⁸]nonadecane-16-carboxylate
(1r,5s,8s,10s,11s,13s,16r,18s)-13,18-bis(acetyloxy)-5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate
4,5,9-trihydroxy-17-methoxy-15-{4,5,9-trihydroxy-14-oxo-11-oxatetracyclo[7.7.1.0¹,¹².0²,⁷]heptadeca-2,4,6,12,15-pentaen-17-yl}-11-oxatetracyclo[7.7.1.0¹,¹².0²,⁷]heptadeca-2,4,6,12,15-pentaen-14-one
(1's,2r,2's,3'r,4'r,7'r,8's,12'r,13's,14's,16'r)-2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate
(2r,3s,6s,10s,11s)-5-acetyl-10-hydroxy-13-methoxy-6-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.0²,¹⁰.0³,⁸.0¹⁴,¹⁸]nonadeca-1(12),13,18-trien-9-one
(1s,2s,3r,4s,7r,9s,10r,12r)-4,12-bis(acetyloxy)-1,9-dihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11,15-dioxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
(1r,5s,7r,13r,20r)-5,11-dihydroxy-10,13,14,15-tetramethoxy-7,20-diphenyl-2,8,21-trioxapentacyclo[11.8.0.0¹,¹⁷.0³,¹².0⁴,⁹]henicosa-3,9,11,14,17-pentaen-16-one
(1s,2r,4s,5s,9r,10r,13r,14s,15s,17s)-9-(furan-3-yl)-1-hydroxy-15-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2z)-2-methylbut-2-enoate
methyl 8-(furan-3-yl)-1-hydroxy-9,13,18,18-tetramethyl-17-[(2-methylbutanoyl)oxy]-19-methylidene-6,12-dioxo-3,7,16-trioxapentacyclo[12.2.2.1⁴,¹¹.0²,¹³.0⁴,⁹]nonadecane-15-carboxylate
13-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-5,15,15-trimethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-9-en-14-yl 2-methylpropanoate
1,2',3',8,10'-pentahydroxy-3,5',7'-trimethoxy-2',6-dimethyl-1',3'-dihydro-[2,9'-bianthracene]-4',9,10-trione
9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione
(2's,3's)-1,2',3',8,10'-pentahydroxy-3,5',7'-trimethoxy-2',6-dimethyl-1',3'-dihydro-[2,9'-bianthracene]-4',9,10-trione
(1r,2r,4s,5s,9s,10s,13r,14s,15s,16s,19r,20r)-9-(furan-3-yl)-5,19-dihydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰.0¹⁴,¹⁹]icosan-20-yl (2e)-2-methylbut-2-enoate
(1s,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2r,3s)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol
methyl 2-{4-[(acetyloxy)(furan-3-yl)methyl]-7a-formyl-4-methyl-2-oxo-3-propanoyl-tetrahydro-3h-1-benzofuran-7-yl}-2,8,8-trimethyl-3-oxo-6-oxabicyclo[3.2.1]octane-7-carboxylate
(1s,9s,17r)-4,5,9-trihydroxy-17-methoxy-15-[(1r,9s,17r)-4,5,9-trihydroxy-14-oxo-11-oxatetracyclo[7.7.1.0¹,¹².0²,⁷]heptadeca-2,4,6,12,15-pentaen-17-yl]-11-oxatetracyclo[7.7.1.0¹,¹².0²,⁷]heptadeca-2,4,6,12,15-pentaen-14-one
4-[(3r,3'r,4s,6's)-7-(acetyloxy)-4-[(2e,4e,6e)-deca-2,4,6-trienoyloxy]-6',7-dimethyl-6,8-dioxo-4h-spiro[2-benzopyran-3,2'-oxan]-3'-yloxy]-4-oxobutanoic acid
(2s,3e)-1-[(2s)-2-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}-2-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid
C23H32N6O13 (600.2027261999999)