Exact Mass: 646.335295
Exact Mass Matches: 646.335295
Found 252 metabolites which its exact mass value is equals to given mass value 646.335295,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Abrusoside A
A triterpenoid saponin that is (22S,24Z)-3beta-hydroxy-26-oxo-22,26-epoxy-9beta,19-cyclolanost-24-en-28-oic acid having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond.
Goshonoside F5
Goshonoside F5 is found in fruits. Goshonoside F5 is a constituent of Rubus foliolosus (Ceylon raspberry). Constituent of Rubus foliolosus (Ceylon raspberry). Goshonoside F5 is found in fruits.
Gypsogenin 3-O-b-D-glucuronide
Gypsogenin 3-O-b-D-glucuronide is found in fruits. Gypsogenin 3-O-b-D-glucuronide is a constituent of the famine food Momordica dioica. Constituent of the famine food Momordica dioica. Gypsogenin 3-O-b-D-glucuronide is found in fruits.
Lyciumoside VIII
Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside VIII is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside VIII is found in coffee and coffee products. Lyciumoside VIII is a constituent of Lycium chinense (Chinese boxthorn).
Monoglucuronylglycyrrhetinic acid
Monoglucuronylglycyrrhetinic acid is a sweetener about 940 times sweeter than sucrose. Sweetener ca. 940 times sweeter than sucrose Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener.
Z-Ile-Glu(OtBu)-Ala-Leu-CHO
PA(10:0/20:3(8Z,11Z,14Z)-2OH(5,6))
C33H59O10P (646.3845643999999)
PA(10:0/20:3(8Z,11Z,14Z)-2OH(5,6)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(10:0/20:3(8Z,11Z,14Z)-2OH(5,6)), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of 5,6-dihydroxyeicosatrienoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:3(8Z,11Z,14Z)-2OH(5,6)/10:0)
C33H59O10P (646.3845643999999)
PA(20:3(8Z,11Z,14Z)-2OH(5,6)/10:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:3(8Z,11Z,14Z)-2OH(5,6)/10:0), in particular, consists of one chain of one 5,6-dihydroxyeicosatrienoyl at the C-1 position and one chain of decanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
gambogenic acid
3-MGA
Glycyrrhetic acid 3-O-glucuronide is a triterpenoid saponin that is the 3-O-beta-glucuronide of glycyrrhetic acid. It is a metabolite of glycyrrhizin contained in licorice and potentially a causative agent in the pathogenesis of pseudoaldosteronism. It has a role as an anti-allergic agent, a sweetening agent, an EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor, a human xenobiotic metabolite and a plant metabolite. It is a monosaccharide derivative, a beta-D-glucosiduronic acid, a triterpenoid saponin, a pentacyclic triterpenoid, an oxo dicarboxylic acid and an enone. It is functionally related to a glycyrrhetinic acid. A triterpenoid saponin that is the 3-O-beta-glucuronide of glycyrrhetic acid. It is a metabolite of glycyrrhizin contained in licorice and potentially a causative agent in the pathogenesis of pseudoaldosteronism. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener.
6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran
Chondramide A
A chondramide that is chondramide C in which the pro-S hydrogen at position 2 of the beta-tyrosine residue is replaced by a methoxy group. It is produced by strains of the myxobacterium, Chondromyces crocatus.
(2Z)-4-[(5R*,16aS*)-3a,4,5,7,9,10,11,12,12a,13-decahydro-8,10-dihydroxy-3,3,10,13,13-pentamethyl-15-(3-methylbut-2-en-1-yl)-7,17-dioxo-3H,8bH-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid|gambogefic acid A
7alpha-acetoxy-14beta,15beta-epoxy-gedunan-1-ene-3-O-beta-D-glucopyranoside
(3beta,5alpha,6alpha,15alpha,22E,24xi)-24-O-[4-Sulfato-beta-D-xylopyranoside]:Cholest-22-ene-3,6,15,24-tetrol
(3S,5S,10S,13R,16R,17S,20S,22R,23S,24S)-16,22-epoxy-21,23-lactone-24-hydroxy-3-O-beta-D-glucostigmasta-8,14-dien-28-one|vernoantheloside A
3beta-hydroxy-22-oxo-12-oleanen-29-oic acid 3-O-beta-D-glucuropyranoside|caraganin A
11alpha,12alpha-epoxy-3beta-[(O-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide
Criophyllin|criophylline|ent-6alpha,7alpha-epoxy-8beta-(ent-6alpha,7alpha-epoxy-22-nor-vallesamidin-15-yl)-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester
C40H46N4O4 (646.3518875999999)
3beta-hydroxyursa-12,18-diene-24,28-dioic acid 28-O-beta-D-glucopyranoside|ilexhainanoside A
10α-Hydroxyepigambogic acid
C32H54O13_(2E)-5-{(1R,4aS,5S,6R,8aS)-5-[(beta-D-Glucopyranosyloxy)methyl]-6-hydroxy-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl}-3-methyl-2-penten-1-yl beta-D-glucopyranoside
(2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
Lys Lys Trp Trp
C34H46N8O5 (646.3590985999999)
Lys Gln Trp Trp
Lys Trp Lys Trp
C34H46N8O5 (646.3590985999999)
Lys Trp Gln Trp
Lys Trp Trp Lys
C34H46N8O5 (646.3590985999999)
Lys Trp Trp Gln
Gln Lys Trp Trp
Gln Gln Trp Trp
Gln Trp Lys Trp
Gln Trp Gln Trp
Gln Trp Trp Lys
Gln Trp Trp Gln
Trp Lys Lys Trp
C34H46N8O5 (646.3590985999999)
Trp Lys Gln Trp
Trp Lys Trp Lys
C34H46N8O5 (646.3590985999999)
Trp Lys Trp Gln
Trp Gln Lys Trp
Trp Gln Gln Trp
Trp Gln Trp Lys
Trp Gln Trp Gln
Trp Trp Lys Lys
C34H46N8O5 (646.3590985999999)
Trp Trp Lys Gln
Trp Trp Gln Lys
Trp Trp Gln Gln
Lyciumoside VIII
Vaccaroside
glycyrrhetyl 3-monoglucuronide
Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener.
Goshonoside F5
OHODA-PA
C33H59O10P (646.3845643999999)
4-Methoxyphenyl-2,3,4,6-tetra-O-benzyl-β-D-galactopyranoside
R-3,3-di-9-anthracenyl-5,5,6,6,7,7,8,8-octahydro-[1,1-Binaphthalene]-2,2-diol
(2E)-5-[(1R,4aS,5S,6R,8aS)-5-[(beta-D-Glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl beta-D-glucopyranoside
1-[1-Carboxy-3-[[3-carboxy-5-[3-[decanoyl(hydroxy)amino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
Cbz-DL-xiIle-DL-Glu(OtBu)-DL-Ala-DL-Leu-For
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors
PA(10:0/20:3(8Z,11Z,14Z)-2OH(5,6))
C33H59O10P (646.3845643999999)
PA(20:3(8Z,11Z,14Z)-2OH(5,6)/10:0)
C33H59O10P (646.3845643999999)
[(2R)-1-hydroxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
2-[2-[Bis(carboxymethyl)amino]ethyl-[2-[3-[4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)anilino]propylamino]-2-oxoethyl]amino]acetic acid
C33H40N7O7+ (646.2989070000001)
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
C33H59O10P (646.3845643999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
C33H59O10P (646.3845643999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
C33H59O10P (646.3845643999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-undecanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
C33H59O10P (646.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
C33H59O10P (646.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
C33H59O10P (646.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
C33H59O10P (646.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
C33H59O10P (646.3845643999999)
[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (8E,11E,14E)-heptadeca-8,11,14-trienoate
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
C33H59O10P (646.3845643999999)
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(E)-undec-4-enoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
C33H59O10P (646.3845643999999)
(1S,3R,6S,7S,8R,11S,12S,16R)-7,12,16-Trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
Monoglucuronylglycyrrhetinic acid
Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener.
phosphatidylserine 26:2(1-)
A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 26 carbons in total and 2 double bonds.
[(2r,3s,4r,5r,6s)-3,4-bis(acetyloxy)-5-hydroxy-6-{4-hydroxy-2-[(2e,6e,9e)-11-methoxy-3,7,11-trimethyldodeca-2,6,9-trien-1-yl]-5-methylphenoxy}oxan-2-yl]methyl acetate
(1r,4s)-4-[(4as,6s,8ar)-6-[(2r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-4-hydroxy-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentyl acetate
(2r,3r,4s,5s,6r)-2-{[(1r,4ar,5s,8s,8ar)-8-hydroxy-1,4a-dimethyl-5-[(3e)-3-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2h-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3s,4s,7r,10s,13s,15e,17r,18r)-6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione
(2s,3s,4s,5r,6r)-5-hydroxy-2-methyl-6-(octyloxy)-4-{[(2s,3r,4r,5s,6s)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-3-yl hexanoate
(2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
17-(acetyloxy)-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 3-phenylprop-2-enoate
(1r,2r,3as,3bs,9br,11ar)-1-[(2r,4e)-2,3-dihydroxy-6-methylhepta-4,6-dien-2-yl]-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-10-one
6-({6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3-[7,8-bis(acetyloxy)-3a-hydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-(2,4-dimethyl-5-oxooxolan-3-yl)-3-hydroxybutan-2-yl acetate
(2s,3s,4s,5r,6r)-6-{[(1s,2s,4s,5r,6s,9s,11r,14r,15s,18s,23r)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[10-(3,7-dimethylocta-2,6-dien-1-yl)-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
3,16,17-kauranetriol; (ent-3β,16βoh)-form,3,17-di-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN006937","Ingredient_name": "3,16,17-kauranetriol; (ent-3\u03b2,16\u03b2oh)-form,3,17-di-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C32H54O13","Ingredient_Smile": "NA","Ingredient_weight": "646.76","OB_score": "NA","CAS_id": "64280-16-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8450","PubChem_id": "NA","DrugBank_id": "NA"}
3'-hydroxyaglaine b
{"Ingredient_id": "HBIN008692","Ingredient_name": "3'-hydroxyaglaine b","Alias": "NA","Ingredient_formula": "C36H42N2O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9767","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-hydroxyaglaine c
{"Ingredient_id": "HBIN008693","Ingredient_name": "3'-hydroxyaglaine c","Alias": "NA","Ingredient_formula": "C36H42N2O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9768","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6α-acetoxy-9β-benzoyloxy-1β-cinnamoyloxy-8β-(2-methylbutanoyloxy)-β-dihydroagaro-furan
{"Ingredient_id": "HBIN012194","Ingredient_name": "6\u03b1-acetoxy-9\u03b2-benzoyloxy-1\u03b2-cinnamoyloxy-8\u03b2-(2-methylbutanoyloxy)-\u03b2-dihydroagaro-furan","Alias": "NA","Ingredient_formula": "C38H46O9","Ingredient_Smile": "CCC(C)C(=O)OC1C2C(C3(C(CCC(C3(C1OC(=O)C4=CC=CC=C4)C)OC(=O)C=CC5=CC=CC=C5)C)OC2(C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "132","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetylcimifugoside
{"Ingredient_id": "HBIN014468","Ingredient_name": "acetylcimifugoside","Alias": "NA","Ingredient_formula": "C36H54O10","Ingredient_Smile": "CC(=O)OC(C)(C)C1C2CCC3C4(CCC56CC57CCC(C(C7CC=C6C4(C(C3(O2)O1)O)C)(C)C)OC8C(C(C(CO8)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "352","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2z)-4-[(1s,2s,7r,16s,18r)-10-(3,7-dimethylocta-2,6-dien-1-yl)-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
(2r,3r,4s,5s,6r)-2-{[(1s,2r,4as,5r,8as)-2-hydroxy-1,4a-dimethyl-5-[(3e)-3-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2h-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r)-3-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-7,8-bis(acetyloxy)-3a-hydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2s,3r,4s)-2,4-dimethyl-5-oxooxolan-3-yl]-3-hydroxybutan-2-yl acetate
2-[(2r,5r)-5-[(1s,4s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
(2r,3r,4s,5s,6r)-2-{[(2r,3s,4as,6as,8r,10ar,10bs)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-1h-naphtho[2,1-b]pyran-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-hydroxy-4-{[hydroxy(2-{3-hydroxy-2-[(1-hydroxy-2-methoxyethylidene)amino]-4-methylpentanoyl}-1,2-diazinan-3-yl)methylidene]amino}-n-(6-hydroxy-2-oxo-4,5-dihydro-3h-pyridin-3-yl)-2-methyl-5-phenylpentanimidic acid
methyl 3,20-diethyl-38-hydroxy-4-oxa-6,16,24,34-tetraazaundecacyclo[25.10.1.1¹³,¹⁶.0¹,²⁴.0³,²³.0⁵,¹³.0⁵,²².0⁷,¹².0²⁷,³⁵.0²⁸,³³.0²⁰,³⁹]nonatriaconta-7,9,11,18,28,30,32,35-octaene-36-carboxylate
C40H46N4O4 (646.3518875999999)
(1s,2s,5r,6r,7s,8s,9r,12r)-12-(acetyloxy)-2,6,10,10-tetramethyl-8-{[(2r)-2-methylbutanoyl]oxy}-5-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
2-[(3-ethenyl-3,4a,7,7,10a-pentamethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-1h-naphtho[2,1-b]pyran-8-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-({1-[4-hydroxy-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)butyl]-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-4a-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2s,3s,4as,6as,8r,10ar,10bs)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-1h-naphtho[2,1-b]pyran-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s)-n-[(2s)-1-[(1r,9r,10s,11r,12r)-1,12-dihydroxy-9-(3-hydroxy-4-methoxyphenyl)-3,5-dimethoxy-10-phenyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanimidic acid
(2r)-n-[(2s)-1-[(1r,9r,10s,11r,12s)-1,12-dihydroxy-9-(3-hydroxy-4-methoxyphenyl)-3,5-dimethoxy-10-phenyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanimidic acid
4-[12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(3s,7r,10s,13s,17s,18r)-6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione
2-{[2-hydroxy-1,4a-dimethyl-5-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl)-6-methylidene-hexahydro-2h-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-(5-{4-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl}-5-methyloxolan-2-yl)propan-2-yl acetate
6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione
2-[(2r,5r)-5-[(1r,4s)-4-[(2r,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3,10-tris(acetyloxy)-5-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-9-yl decanoate
(3s,4r,7r,10s,13r,15e,17s,18s)-6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione
(1s,2s,4r,5s,6s,10s,11r,12r,13r,14s,15r)-13-(acetyloxy)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-15-yl (2e,4e)-trideca-2,4-dienoate
(2e)-4-[(1s,2s,8r,15s,16s,17s,19r)-12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(2s,3s,4r,5r,6s)-2-{[(1r,2s,4ar,8as)-1-[(3z)-4-hydroxy-3-(2-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)butyl]-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-4a-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2z)-4-[(1s,2s,17s,19r)-12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
2-[(2r,5r)-5-[(1r)-4-[(4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
(2s,3r,4s,5r)-2-[2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol
C35H60Cl2O6 (646.3766720000001)