Exact Mass: 552.2934
Exact Mass Matches: 552.2934
Found 500 metabolites which its exact mass value is equals to given mass value 552.2934
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bipindogulomethyloside
Bipindogulomethyloside is isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the US Isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA.
Handelin
Handelin is a sesterterpenoid. [(1R,2R,3R,3aR,4S,5S,6R,6aR,9S,9aR,9bR,10S,11R)-2,6-dihydroxy-2,6,9,11-tetramethyl-6-methylidene-2,7-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-3,15-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate is a natural product found in Tanacetum vulgare, Chrysanthemum lavandulifolium, and other organisms with data available. Handelin is a guaianolide dimer from Chrysanthemum boreale that has potent anti-inflammatory activity by down-regulating NF-κB signaling and pro-inflammatory cytokine production[1]. Handelin is a guaianolide dimer from Chrysanthemum boreale that has potent anti-inflammatory activity by down-regulating NF-κB signaling and pro-inflammatory cytokine production[1].
Triterpenoid
Triterpenoid is a byproduct from squalene 2,3-oxide decomposition. Squalene is a precursor to sterol biosynthesis. Terpenes are derived biosynthetically from units of isoprene, which has the molecular formula C5H8. The basic molecular formulas of terpenes are multiples of that, (C5H8)n where n is the number of linked isoprene units. This is called the isoprene rule or the C5 rule. The isoprene units may be linked together "head to tail" to form linear chains or they may can be arranged to form rings. One can consider the isoprene unit as one of natures preferred building blocks. [HMDB] Triterpenoid is a byproduct from squalene 2,3-oxide decomposition. Squalene is a precursor to sterol biosynthesis. Terpenes are derived biosynthetically from units of isoprene, which has the molecular formula C5H8. The basic molecular formulas of terpenes are multiples of that, (C5H8)n where n is the number of linked isoprene units. This is called the isoprene rule or the C5 rule. The isoprene units may be linked together "head to tail" to form linear chains or they may can be arranged to form rings. One can consider the isoprene unit as one of natures preferred building blocks.
lokundjoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Desglucocheirotoxol
Convallatoxol is isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA. Isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA.
Arbekacin
Arbekacin is only found in individuals that have used or taken this drug. It is an semisynthetic aminoglycoside antibiotic. Often used for treatment of multi-resistant bacterial infection such as methicillin-resistant Staphylococcus aureus (MRSA). Amikacin is also nephrotoxic and ototoxic.Aminoglycosides, such as Arbekacin, inhibit protein synthesis in susceptible bacteria by irreversibly binding to bacterial 30S and 16S ribosomal subunits. Specifically Arbekacin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide
PA(2:0/PGF1alpha)
PA(2:0/PGF1alpha) 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(2:0/PGF1alpha), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin F1alpha 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(PGF1alpha/2:0)
PA(PGF1alpha/2:0) 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(PGF1alpha/2:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of acetyl 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).
Euhorbiasteroid
Euphorbiasteroid is a natural product found in Macaranga tanarius and Euphorbia lathyris with data available.
EFL1 diterpene
Bipindogulomethyloside
3-[(3R,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
3,9-epoxy-20alphaF-(2-ethyl-4-methyl-pyrrole-3-carbonyloxy)-25-methyl-(5beta)-14beta,13-[1]oxa[4]azapentano-18-nor-pregna-7,16-diene-3beta,11alpha-diol|Batrachotoxinin A-20-(2-ethyl-4-methyl-pyrrol-3-carboxylat) od. Homobatrachotoxin od. Isobatrachotoxin|homobatrachotoxin|O20-(2-ethyl-4-methyl-pyrrole-3-carbonyl)-batrachotoxinin-A
sarmentogenin-3-O-beta-D-allopyranoside|sarmentogenin-3beta-O-(beta-D-alloside)|sarmentogenin-3beta-O-
11-O-trans-Cinnamoyl-12-O-acetyl-17alphaH-marsdenin
16beta-hydroxy-heteroclitalactone H|heteroclitalactone I
3beta,27-dihydroxyolean-12-en-28-oic acid 3-sulfate ester
11-(2-Methylbutanoyl),12-benzoyl-Tenacigenin B|11alpha-O-2-methylbutyryl-12beta-O-benzoyltenacigenin B
2-O-pentadecanoyl-2-hydroxy-8-methoxy-6,7-methylenedioxyisoflavone|aervin D
3,4,5-trihydroxydrhydro-alpha-ionol-9-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
2,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELATRIENE-20-CARBOXYLIC ACID
C29H44O10_Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-5,14-dihydroxy-, (3alpha,5beta,8xi,9xi)
Arbekacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials A kanamycin that is kanamycin B bearing an N-(2S)-4-amino-2-hydroxybutyryl group on the aminocyclitol ring. C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
Cys Phe Lys Arg
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Deglucocheirotoxol
Cuspidoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium,dichloride
LEE011 succinate
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
14,15-Dihydroajugapitin
A diterpenoid isolated from the aerial parts of Ajuga bracteosa.
2-{bis[3-(dimethylamino)propyl]amino}-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium
diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium
3-[(21S,22S)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
15-hydroxyajubractin C
A diterpenoid isolated from the aerial parts of Ajuga bracteosa.
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tridec-9-enoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-hexadec-9-enoate
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tetradec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-octadec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-heptadec-9-enoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-hexadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (Z)-tridec-9-enoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-pentadec-9-enoate
[1-[(E)-dec-4-enoyl]oxy-3-phosphonooxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-[(4E,7E)-deca-4,7-dienoyl]oxy-3-phosphonooxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
(2'r,5r,6s,9's,9bs)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxo-4,5,6a,7,9a,9b-hexahydro-3ah-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadecan]-14'-en-5-yl acetate
4-(3a,5a-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-5h-furan-2-one
(1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol
4-[(1r,3as,3bs,5ar,7s,9ar,9bs,10r,11ar)-3a,10-dihydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(2e,4e,6r)-n-[(3r,4s)-3,4-dihydroxy-3-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]-6-oxocyclohex-1-en-1-yl]-2,4,6-trimethyldeca-2,4-dienimidic acid
(1'r,2r,3'e,5'r,7's,11's,12'r,13's,14's)-1',11'-bis(acetyloxy)-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.0⁵,⁷]pentadecan]-3'-en-13'-yl 2-phenylacetate
(4e,7s)-n-[(2z,4z)-2-(chloromethylidene)-4-methoxy-6-(4-methoxy-2-oxo-5h-pyrrol-1-yl)-6-oxohex-4-en-1-yl]-7-methoxy-n-methyltetradec-4-enamide
(2s,3r,4r,5r,6r)-2-methyl-6-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3e)-4-[(1s,2s,4s)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]but-3-en-2-yl]oxy}oxan-2-yl]methoxy}oxane-3,4,5-triol
(1s,3r,5s,6s,15r,18e,21s,23s)-5,10-dihydroxy-6,12,17,17,21,27-hexamethyl-7,22,24,28-tetraoxahexacyclo[21.4.3.0¹,²³.0³,²¹.0⁶,¹⁵.0⁸,¹³]triaconta-8,10,12,18,26-pentaene-25,29-dione
(1r,2s,3r,4ar,5s,6r,8s,8ar)-5-[(2s,3ar,6as)-hexahydrofuro[2,3-b]furan-2-yl]-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl (2s)-2-methylbutanoate
4-[3a,11-dihydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(4ar,5r,6as,6br,8ar,12ar,12br,14bs)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(sulfooxy)-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
4-[(1r,3as,3bs,5as,7r,9ar,9br,10r,11ar)-3a,5a,10-trihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(1's,2s,2's,4'r,9's,11'e,15'r)-2',20'-dihydroxy-1',3,9',13',13',18'-hexamethyl-5-oxo-8',23'-dioxaspiro[furan-2,6'-tetracyclo[13.8.0.0⁴,⁹.0¹⁷,²²]tricosane]-11',17',19',21'-tetraen-7'-ylideneacetic acid
8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-{hexahydrofuro[2,3-b]furan-2-yl}-2-hydroxy-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate
13-(chloromethyl)-2,3,9-trihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1h-picene-4,8a-dicarboxylic acid
2-{[5,7-dihydroxy-2,2-dimethyl-6-(2-methylpropanoyl)chromen-8-yl]methyl}-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)-6-(2-methylpropanoyl)cyclohexa-2,5-dien-1-one
18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl 2-methylbut-2-enoate
4-{[5,7-dihydroxy-2,2-dimethyl-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
(9r,13s,15s,16r,17r,18s)-15-hydroxy-16-[(1r)-1-hydroxy-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4,10-tetraen-18-yl acetate
1-(3,4-dimethoxyphenyl)-2-{4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}propan-1-ol
19-hydroxy-sarmentogenin-3β-o-β-6-deoxygu-loside
{"Ingredient_id": "HBIN002200","Ingredient_name": "19-hydroxy-sarmentogenin-3\u03b2-o-\u03b2-6-deoxygu-loside","Alias": "NA","Ingredient_formula": "C29H44O10","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10691","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β,5β,11α,14β-tetrahydroxy-5β-card-20(22)eno-lide-3α-l-rhamnoside
{"Ingredient_id": "HBIN008092","Ingredient_name": "3\u03b2,5\u03b2,11\u03b1,14\u03b2-tetrahydroxy-5\u03b2-card-20(22)eno-lide-3\u03b1-l-rhamnoside","Alias": "3beta,5beta,11alpha,14beta-tetrahydroxy-5beta-card-20(22)enolide-3alpha-l-rhamnoside","Ingredient_formula": "C29H44O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21068;32028","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alliside
{"Ingredient_id": "HBIN015203","Ingredient_name": "alliside","Alias": "NA","Ingredient_formula": "C29H44O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "922","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
antiogoside
{"Ingredient_id": "HBIN016377","Ingredient_name": "antiogoside","Alias": "NA","Ingredient_formula": "C29H44O10","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O","Ingredient_weight": "552.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6739;21613","PubChem_id": "21550487","DrugBank_id": "NA"}