Exact Mass: 750.3955228
Exact Mass Matches: 750.3955228
Found 167 metabolites which its exact mass value is equals to given mass value 750.3955228,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
beta-Casomorphin (1-6)
This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
(S,E)-N-(4-(4-Acetylpiperazin-1-yl)benzyl)-3-(4-(tert-butyl)phenyl)-N-(1-(4-(4-cyanobenzyl)piperazin-1-yl)-1-oxo-3-phenylpropan-2-yl)acrylamide
PG(a-13:0/5-iso PGF2VI)
PG(a-13:0/5-iso PGF2VI) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylglycerols 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, phosphatidylglycerols 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. PG(a-13:0/5-iso PGF2VI), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(5-iso PGF2VI/a-13:0)
PG(5-iso PGF2VI/a-13:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylglycerols 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, phosphatidylglycerols 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. PG(5-iso PGF2VI/a-13:0), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of 10-methyldodecanoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(i-13:0/5-iso PGF2VI)
PG(i-13:0/5-iso PGF2VI) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylglycerols 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, phosphatidylglycerols 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. PG(i-13:0/5-iso PGF2VI), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(5-iso PGF2VI/i-13:0)
PG(5-iso PGF2VI/i-13:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylglycerols 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, phosphatidylglycerols 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. PG(5-iso PGF2VI/i-13:0), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of 11-methyldodecanoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
Delta11-digitoxigenin-3-O-4)-2,3-di-O-acetyl-beta-D-allopyranoside>|Delta11-digitoxigenin-3-O-[beta-D-xylopyranosyl-(1->4)-2,3-di-O-acetyl-beta-D-allopyranoside]
1-O-dodecanyl-2,4-di-O-acetyl-alpha-rhamnopyranosyl-(1->3)-4-O-acetyl-alpha-rhamnopyranosyl-(1->4)-alpha-rhamnopyranoside|cleistetroside-5|cleistrioside 5|cleistrioside-5|dodecyl 2,4-di-O-acetyl-alpha-L-rhamnopyranosyl-(1->3)-4-O-acetyl-alpha-L-rhamnopyranosyl-(1->4)-alpha-L-rhamnopyranoside
(3beta,4beta)-24-hydroxy-16-oxo-28-norolean-12-en-3-yl 4-O-beta-D-xylopyranosyl-beta-D-glucopyranosiduronic acid
3-hydroxy-16,16-bis(hydroxymethyl)[1,3-bivobasan]-17,17-dioic acid dimethyl ester|vobasonidine
16-hydroxy-3beta-O-[beta-D-xylopyranosyl-(1->3)-beta-D-glucopyranosyloxyuronic acid]-5alpha,14beta-ergost-8,16-diene-15,23-dione|pandaroside F
6-beta-acetoxy 3-O-beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside|6??-Acetoxy scillarenin 3-O-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-L-rhamnopyranoside
(25R)-spirost-5-en-3beta-ol-7-one 3-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranoside|dioscin F
17-deacetoxycyclovinblastine|4-deacetoxycyclovinblastine
(22R)-1alpha,12alpha-diacetoxy-2alpha,3alpha,6alpha,7alpha-diepoxy-27-[(beta-D-glucopyranosyl)oxy]-5alpha-hydroxywith-24-enolide|chantriolide C
30-Norhederagenin-3-O-??-D-glucosyl(1鈥樏傗垎3)-??-L-arabinopyranoside
cis-Cleroda-15,16-dihydroxy-3,13(Z)-dien-18-O-[??-D-galactopyranosyl]-peracetylester
Medicagenic acid base + O-Hex-Malonylate
Annotation level-3
Parisvanioside A
(1S)-5,5,6,6,7,7,8,8-Octahydro-3,3-bis([1,1:3,1-terphenyl]-5-yl)-[1,1-binaphthalene]-2,2-diol
(1R)-5,5,6,6,7,7,8,8-Octahydro-3,3-bis([1,1:3,1-terphenyl]-5-yl)-[1,1-binaphthalene]-2,2-diol
(S,E)-N-(4-(4-Acetylpiperazin-1-yl)benzyl)-3-(4-(tert-butyl)phenyl)-N-(1-(4-(4-cyanobenzyl)piperazin-1-yl)-1-oxo-3-phenylpropan-2-yl)acrylamide
(E)-N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-3-(4-tert-butylphenyl)-N-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-hexadec-9-enoate
[1-octanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-tetradec-9-enoate
[1-heptanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-icos-11-enoate
[1-nonanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-tridec-9-enoate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-nonadec-9-enoate
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-heptadec-9-enoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate
[1-heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (11Z,14Z)-henicosa-11,14-dienoate
[1-butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (13Z,16Z)-tetracosa-13,16-dienoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-nonanoyloxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
[1-hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
[1-decanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-dodecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
[3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetradec-9-enoate
[1-acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (15Z,18Z)-hexacosa-15,18-dienoate
[(2S,3S,6S)-6-[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(5E,8E,11E)-tetradeca-5,8,11-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (9E,12E)-octadeca-9,12-dienoate
[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9E,12E)-octadeca-9,12-dienoate
[(2S)-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-undecanoyloxypropyl] (9E,12E)-heptadeca-9,12-dienoate
[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (2E,4E)-octadeca-2,4-dienoate
[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9E,11E)-octadeca-9,11-dienoate
[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (6E,9E)-octadeca-6,9-dienoate
[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (9E,11E)-octadeca-9,11-dienoate
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] (9E,12E)-heptadeca-9,12-dienoate
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(E)-tetradec-9-enoyl]oxypropyl] (E)-tetradec-9-enoate
[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (2E,4E)-octadeca-2,4-dienoate
[1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (6E,9E)-octadeca-6,9-dienoate
beta-casomorphin-6 (human)
A six amino acid oligopeptide fragment of the human milk protein, beta-casein.
phosphatidylserine 34:6(1-)
A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 34 carbons in total and 6 double bonds.
methyl 4'-[(13e)-13-ethylidene-4-methoxy-18-(methoxycarbonyl)-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-trien-5-yl]-5'-methoxy-3,8'-dimethyl-8',15'-diazaspiro[oxirane-2,13'-pentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadecane]-2'(7'),3',5'-triene-18'-carboxylate
4-{[3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetate
methyl (1s,15r,17s,18s)-5-[(1s,12r,14s,15z,18s)-15-ethylidene-18-(hydroxymethyl)-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1s)-1-hydroxyethyl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
[(s)-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}(carboxy)methoxy]acetic acid
{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}(carboxymethoxy)acetic acid
4,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid
methyl (1s,15r,17s,18s)-5-[(1r,12r,14s,15e,18s)-15-ethylidene-18-(hydroxymethyl)-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1s)-1-hydroxyethyl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
4-{[(1r,4s,5r,6s,9s,10s,13r,14r)-6-{[(2s,4r,5r,6r)-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9,13-dimethyl-17-oxo-5-(2-oxopropyl)tetracyclo[11.3.1.0¹,¹⁰.0⁴,⁹]heptadecan-14-yl]methyl}oxolan-2-one
6β-acetoxy scillarenin 3-o-β-d-glucopyranosyl-(1→4)-α-l-rhamnopyranoside
{"Ingredient_id": "HBIN012254","Ingredient_name": "6\u03b2-acetoxy scillarenin 3-o-\u03b2-d-glucopyranosyl-(1\u21924)-\u03b1-l-rhamnopyranoside","Alias": "NA","Ingredient_formula": "C38H54O15","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "279","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bidentatoside ii
{"Ingredient_id": "HBIN018484","Ingredient_name": "bidentatoside ii","Alias": "NA","Ingredient_formula": "C40H62O13","Ingredient_Smile": "CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(C(=O)O)OCC(=O)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C","Ingredient_weight": "750.9 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14471","TCMID_id": "2364","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101129998","DrugBank_id": "NA"}
bidentatoside,ii
{"Ingredient_id": "HBIN018485","Ingredient_name": "bidentatoside,ii","Alias": "NA","Ingredient_formula": "C40H62O13","Ingredient_Smile": "NA","Ingredient_weight": "750.91","OB_score": "8.142054405","CAS_id": "386253-62-9","SymMap_id": "SMIT13253","TCMID_id": "NA","TCMSP_id": "MOL012504","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bidentatoside,ii_qt
{"Ingredient_id": "HBIN018486","Ingredient_name": "bidentatoside,ii_qt","Alias": "NA","Ingredient_formula": "C40H62O13","Ingredient_Smile": "NA","Ingredient_weight": "750.91","OB_score": "31.75996389","CAS_id": "386253-62-9","SymMap_id": "SMIT13254","TCMID_id": "NA","TCMSP_id": "MOL012505","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3r,4s,6s)-6-{[(2r,3r,4s,6s)-6-{[(2r,3r,4s,6s)-4-hydroxy-6-{[(2r,3s,4s,6s)-4-hydroxy-6-{[(2r,3r,4r)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl acetate
6-[(6-{[4-hydroxy-6-({4-hydroxy-6-[(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy]-2-methyloxan-3-yl}oxy)-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-yl acetate
(2r,3r,4r,6s)-6-{[(2r,3r,4s,6s)-6-{[(2r,3s,4r,6s)-4-hydroxy-6-{[(2r,3s,4s,6s)-4-hydroxy-6-{[(2r,3r,4r)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl acetate
4',7'-bis(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-5'-yl benzoate
methyl (1s,15r,17s,18s)-7-[(1s,12s,14s,15e,18s)-15-ethylidene-18-(hydroxymethyl)-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1s)-1-hydroxyethyl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
(2r,3s,4r,5s,6s)-2-{[(3s,4ar,6ar,6bs,9s,10ar,11as,11bs)-6b-hydroxy-10a,11b-dimethyl-10-methylidene-9-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclohexa[a]fluoren-3-yl]oxy}-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate
methyl 7-[(15e)-15-ethylidene-18-(hydroxymethyl)-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-17-(1-hydroxyethyl)-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
(1s,2s,4s,5r,7s,9s,10r,11s,12s,14s,15r,16r,19s)-10-(acetyloxy)-5-hydroxy-11,15-dimethyl-16-[(1s)-1-[(2r)-4-methyl-6-oxo-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyran-2-yl]ethyl]-3,8-dioxahexacyclo[10.7.0.0²,⁴.0⁵,¹¹.0⁷,⁹.0¹⁵,¹⁹]nonadecan-14-yl acetate
(1s,3r,6s,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-9-yl (2e)-2-methylbut-2-enoate
methyl 4'-[(13e)-13-ethylidene-4-methoxy-18-(methoxycarbonyl)-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-trien-5-yl]-5'-methoxy-3,8'-dimethyl-8',15'-diazaspiro[oxirane-2,13'-pentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadecane]-2'(7'),3',5'-triene-18'-carboxylate
(2s,3s,4r,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,8as,12ar,14ar,14br)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4,5-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
(2s,3s,4s,5r,6s)-4-{[(2s,3r,4r,5r,6s)-3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2s,3r,4s,5r,6r)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetate
(1'r,2s,3s,3'r,3as,4r,4'r,5'r,5as,6'r,7's,9'r,9as,9bs)-4,7'-bis(acetyloxy)-3',4'-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-5'-yl benzoate
(2s,3s,4s,5r,6s)-4-{[(2s,3r,4r,5s,6s)-3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2s,3r,4r,5r,6r)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetate
(2s,3s,4s,5r,6r)-6-{[(3ar,5as,7s,9as,11as)-1-[(2r,5r)-5,6-dimethyl-4-oxoheptan-2-yl]-2-hydroxy-9a,11a-dimethyl-3-oxo-3ah,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
(2r,3r,4s,6s)-6-{[(2r,3r,4s,6s)-6-{[(2r,3s,4r,6s)-4-hydroxy-6-{[(2r,3s,4s,6s)-4-hydroxy-6-{[(2r,3r,4r)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl acetate
(1's,2s,3s,3'r,3as,4r,4'r,5'r,5as,6'r,7's,9'r,9as,9bs)-4,7'-bis(acetyloxy)-3',4'-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-5'-yl benzoate
7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate
(1'r,2s,3s,3'r,3as,4r,4'r,5'r,5as,6'r,7's,9'r,9as,9bs)-4',7'-bis(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-5'-yl benzoate
(1s,3r,6r,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-9-yl (2e)-2-methylbut-2-enoate
(2r,4ar,6as,6br,8ar,10s,12ar,12bs,14bs)-10-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6a,9,9,12a-pentamethyl-3,4,5,6,6b,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-2,4a-dicarboxylic acid
3-[(2s,5r,8s,11r,14s,17r)-14-(4-aminobutyl)-5,11-dibenzyl-3,6,9,12,15,18-hexahydroxy-17-(hydroxymethyl)-8-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]propanimidic acid
C38H54N8O8 (750.4064404000001)
4,7'-bis(acetyloxy)-3',4'-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-5'-yl benzoate
(1's,2s,3s,3'r,3as,4r,4'r,5'r,5as,6'r,7's,9'r,9as,9bs)-4',7'-bis(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-5'-yl benzoate
(1r,3as,3br,5r,7s,9ar,9bs,11ar)-7-{[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate
2-[(2-{[(1-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxybutanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-3-(1h-indol-2-yl)propanoic acid
C39H54N6O9 (750.3952074000001)