Exact Mass: 606.3532512
Exact Mass Matches: 606.3532512
Found 319 metabolites which its exact mass value is equals to given mass value 606.3532512
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fulvestrant
Fulvestrant is a drug treatment of hormone receptor-positive metastatic breast cancer in post-menopausal women with disease progression following anti-estrogen therapy. It is an estrogen receptor antagonist with no agonist effects, which works both by down-regulating and by degrading the estrogen receptor. L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BA - Anti-estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2116 - Selective Estrogen Receptor Down Regulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)
(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide) is a natural human metabolite of (23S)-23,25-dihdroxy-24-oxovitamine D3 generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
13-Methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
N,N-Diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine
PA(8:0/5-iso PGF2VI)
PA(8:0/5-iso PGF2VI) 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(8:0/5-iso PGF2VI), in particular, consists of one chain of one octanoyl 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 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(5-iso PGF2VI/8:0)
PA(5-iso PGF2VI/8:0) 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(5-iso PGF2VI/8:0), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of octanoyl 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).
[7-acetyloxy-4,6-di(butanoyloxy)-8-hydroxy-3a,5a,9-trimethyl-1-propan-2-yl-1,2,3,4,5,6,7,8,10a,10b-decahydrocyclohepta[e]inden-2-yl] butanoate
Caucasicoside A
5-alpha-4,5-Dihydro-scillirosidin 3-O-alpha-L-quinovopyranoside
3beta-(beta-glucopyranosyloxyuronic acid)-16-hydroxy-5alpha,14beta-cholest-16-ene-15,23-dione|pandaroside D
2alpha,3beta-dihydroxy-spirost-5,25(27)-diene-1beta-yl O-beta-D-galactopyranoside|atropuroside D
7alpha-acetoxy-21R?,23R?-epoxy-1alpha,24S?,25-trihydroxy-21alpha-ethoxy-4,4,8-trimethyl-cholesta-14-en-3-one|brujavanone N
(2alpha,3beta,18beta)-23-O-(trans-p-coumaroyl)-19(18?17)-abeo-28-norolean-12-ene-2,3,18-triol|leonurusoleanolide G
(22E,24S)-3beta,25-dihydroxy-15alpha-O-beta-D-glucopyranosyl-ergosta-7,22-dien-6-one|fomentarol D
26-O-beta-D-glucopyranosyl-(25R)-furostan-4-ene-22alpha,26-diol-3,12-dione|Terrestrinone A1
12-O-(6-O-acetyl-beta-D-glucopyranosyl-(1?2)-beta-D-glucopyranosyl)-campherenane-2-endo,12-diol
3alpha-hydroxy-11alpha-(4-hydroxy-3-methoxy)benzoyloxybauer-1-one|ulmuestone
1alpha,7alpha-diacetoxy-17alpha-20S-21,24-epoxy-apotirucall-14-ene-3alpha,23R,24S,25-tetraol
1beta,24beta-dihydroxy-spirost-5,25(27)-dien-3alpha-yl O-beta-D-glucopyranoside|tupistroside B
1alpha,2alpha-di-(alpha-methyl)-butanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??,2??-Di-(a-methyl)-butanoyl-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran
20-hydroxyecdysone 2,3,22-triacetate|20-hydroxyecdysone-2,3,22-triacetate|Ecdysteron-2,3,22-triacetat|Ecdysteron-triacetat-(2,3,22)|ecdysterone 2,3,22-triacetate|ecdysterone 2beta,3beta,22R-triacetate|ecdysterone triacetate
Arg Tyr Ile Arg
C27H46N10O6 (606.3601616000001)
Ile Arg Tyr Arg
C27H46N10O6 (606.3601616000001)
Fulvestrant
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BA - Anti-estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2116 - Selective Estrogen Receptor Down Regulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
C33H50O10_(1beta,3beta,9xi,11alpha,14xi)-1,3,11-Trihydroxyfurosta-5,20(22),25-trien-27-yl beta-D-glucopyranoside
C32H46O11_Carda-4,20(22)-dienolide, 6-(acetyloxy)-3-[(6-deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy]-8,14-dihydroxy-, (3beta,8xi,9xi)
3-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-one
(3R,6R)-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptane-1,3-diyl diacetate
(3R,6R)-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptane-1,3-diyl diacetate
Glu Phe Arg Arg
C26H42N10O7 (606.3237782000001)
Glu Arg Phe Arg
C26H42N10O7 (606.3237782000001)
Glu Arg Arg Phe
C26H42N10O7 (606.3237782000001)
Phe Glu Arg Arg
C26H42N10O7 (606.3237782000001)
Phe Arg Glu Arg
C26H42N10O7 (606.3237782000001)
Phe Arg Arg Glu
C26H42N10O7 (606.3237782000001)
Phe Arg Val Trp
Phe Arg Trp Val
Phe Val Arg Trp
Phe Val Trp Arg
Phe Trp Arg Val
Phe Trp Val Arg
Ile Arg Arg Tyr
C27H46N10O6 (606.3601616000001)
Ile Tyr Arg Arg
C27H46N10O6 (606.3601616000001)
Leu Arg Arg Tyr
C27H46N10O6 (606.3601616000001)
Leu Arg Tyr Arg
C27H46N10O6 (606.3601616000001)
Leu Tyr Arg Arg
C27H46N10O6 (606.3601616000001)
Arg Glu Phe Arg
C26H42N10O7 (606.3237782000001)
Arg Glu Arg Phe
C26H42N10O7 (606.3237782000001)
Arg Phe Glu Arg
C26H42N10O7 (606.3237782000001)
Arg Phe Arg Glu
C26H42N10O7 (606.3237782000001)
Arg Phe Val Trp
Arg Phe Trp Val
Arg Ile Arg Tyr
C27H46N10O6 (606.3601616000001)
Arg Ile Tyr Arg
C27H46N10O6 (606.3601616000001)
Arg Leu Arg Tyr
C27H46N10O6 (606.3601616000001)
Arg Leu Tyr Arg
C27H46N10O6 (606.3601616000001)
Arg Arg Glu Phe
C26H42N10O7 (606.3237782000001)
Arg Arg Phe Glu
C26H42N10O7 (606.3237782000001)
Arg Arg Ile Tyr
C27H46N10O6 (606.3601616000001)
Arg Arg Leu Tyr
C27H46N10O6 (606.3601616000001)
Arg Arg Tyr Ile
C27H46N10O6 (606.3601616000001)
Arg Arg Tyr Leu
C27H46N10O6 (606.3601616000001)
Arg Val Phe Trp
Arg Val Trp Phe
Arg Trp Phe Val
Arg Trp Val Phe
Arg Tyr Leu Arg
C27H46N10O6 (606.3601616000001)
Arg Tyr Arg Ile
C27H46N10O6 (606.3601616000001)
Arg Tyr Arg Leu
C27H46N10O6 (606.3601616000001)
Val Phe Arg Trp
Val Phe Trp Arg
Val Arg Phe Trp
Val Arg Trp Phe
Val Trp Phe Arg
Val Trp Arg Phe
Trp Phe Arg Val
Trp Phe Val Arg
Trp Arg Phe Val
Trp Arg Val Phe
Trp Val Phe Arg
Trp Val Arg Phe
Tyr Ile Arg Arg
C27H46N10O6 (606.3601616000001)
Tyr Leu Arg Arg
C27H46N10O6 (606.3601616000001)
Tyr Arg Ile Arg
C27H46N10O6 (606.3601616000001)
Tyr Arg Leu Arg
C27H46N10O6 (606.3601616000001)
Tyr Arg Arg Ile
C27H46N10O6 (606.3601616000001)
Tyr Arg Arg Leu
C27H46N10O6 (606.3601616000001)
1,25-Dihydroxy-20S-21-(3-hydroxy-3-methylbutyl)-23-yne-26,27-hexafluorovitamin D3
(5Z,7E)-(3S,23S)-24-oxo-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol 23-D-glucuronide
(23S)-23,25-dihydroxy-24-oxovitamin D3 23-(beta-glucuronide)
Cucurbitacin C3
ST 27:3;O4;GlcA
Pandaroside D
(1s,2s)-(+)-[1,2-cyclohexanediamino-n n-bis(3,5-di-t-butylsalicylidene)]aluminum (iii) chloride
(1R,2R)-(-)-[1,2-Cyclohexanediamino-N,N-bis-(3,5-di-tert-butylsalicylidene)]aluminum(III)chloride
(R)-(-)-1-[(S)-2-Dicyclohexylphosphino)ferrocenyl]ethyldicyclohexylphosphine
(S,S)-N,N-bis-(3,5-Di-tert-butylsalicylidene)-1,2-cyclohexanediaminoaluminum chloride
(s,s)-1-dicyclohexylphosphino-2-[1-(dicyclohexylphosphino)ethyl]ferrocene
(S)-2-[[(1R,2R)-2-[[[3,5-Bis(tert-butyl)-2-hydroxyphenyl]methylene]amino]cyclohexyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide
N,N-Diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine
4-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid, ethyl ester
C33H42N4O7 (606.3053342000001)
(2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-14-methylpentadecan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide
(3R,6R)-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptane-1,3-diyl diacetate
(7R,8S,9S,13S,14R,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
N-[5-[4-(3,6-diaminoacridin-10-ium-10-yl)butanoylamino]pentyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
(7R,8R,9R,13R,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (11Z,14Z)-henicosa-11,14-dienoate
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (11Z,14Z)-henicosa-11,14-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
(3R,6R)-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptane-1,3-diyl diacetate
[1-phosphonooxy-3-[(7E,9E)-tetradeca-7,9-dienoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-phosphonooxy-3-[(5E,8E,11E)-tetradeca-5,8,11-trienoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
13-Methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
(1S,4S,8S,9S,11R,13R,14R,16R)-7,9,13-trimethyl-6-[3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-diene-11,14,16-triol
(2s,3s)-2-{[(2s)-2-(dimethylamino)-4-methylpentanoyl]oxy}-n-[(2s)-1-[(2s)-2-[(2s)-2-isopropyl-3-methoxy-5-oxo-2h-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylpentanimidic acid
(2r,3r,4s,5r,6r)-2-{[(2r,3r,4r,5s)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3-methylbut-2-enoyl)oxy]oxan-3-yl dodecanoate
2-[8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-4-[(2-methylpropanoyl)oxy]-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylpropanoate
(2r,3r)-2-[(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]-2,6-dihydroxy-6-methylheptan-3-yl acetate
(1s,2s,3ar,5r,10r,11s,13r,13ar)-3a,11,13-tris(acetyloxy)-2,5,8,8-tetramethyl-12-methylidene-10-(2-methylpropoxy)-4,9-dioxo-1h,2h,3h,5h,10h,11h,13h,13ah-cyclopenta[12]annulen-1-yl acetate
(1s,2r,4as,4br,6ar,7r,8r,9r,10ar,10br)-1,8,9-trihydroxy-4',4',4a,4b,7,10a-hexamethyl-3,4,5,6,6a,8,9,10,10b,11-decahydro-1h-spiro[chrysene-2,1'-cyclopentan]-7-ylmethyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
2-{[2-(dimethylamino)-4-methylpentanoyl]oxy}-n-{1-[2-(2-isopropyl-3-methoxy-5-oxo-2h-pyrrole-1-carbonyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-methylpentanimidic acid
(1r,3s,3ar,5as,7s,9ar,9br,11ar)-7-hydroxy-1-[(2r,3e,5s)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
2-(hydroxymethyl)-6-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-15',16'-dioloxy}oxane-3,4,5-triol
20-hydroxyecdysone-2,3,20,22-diacetonide
{"Ingredient_id": "HBIN003412","Ingredient_name": "20-hydroxyecdysone-2,3,20,22-diacetonide","Alias": "NA","Ingredient_formula": "C33H50O10","Ingredient_Smile": "CC(=O)OC1CC2C(=O)C=C3C(C2(CC1OC(=O)C)C)CCC4(C3(CCC4C(C)(C(CCC(C)(C)O)OC(=O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42189","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl 3-(acetyloxy)-2,13,20,21-tetrahydroxy-25-methoxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacosane-14-carboxylate
(2r,3s,4s,5r,6r)-3-(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2-[(2r,3s)-2,3,4-trihydroxybutoxy]oxan-4-yl hexadecanoate
(1r,2s,3ar,4s,5ar,6s,7s,8s,10as,10br)-7-(acetyloxy)-4,6-bis(butanoyloxy)-8-hydroxy-1-isopropyl-3a,5a,9-trimethyl-1h,2h,3h,4h,5h,6h,7h,8h,10ah,10bh-cyclohepta[e]inden-2-yl butanoate
(1s,2r,4ar,6as,8as,10r,12as,12bs,13r,14as,14br)-10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,8,8a,10,11,12b,13,14,14b-tetradecahydropicen-13-yl 4-hydroxy-3-methoxybenzoate
2-[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]-2,6-dihydroxy-6-methylheptan-3-yl acetate
3a,11,13-tris(acetyloxy)-2,5,8,8-tetramethyl-12-methylidene-10-(2-methylpropoxy)-4,9-dioxo-1h,2h,3h,5h,10h,11h,13h,13ah-cyclopenta[12]annulen-1-yl acetate
3-[(2r,3r,4r,6r)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(3s,4e,6e,8s)-8-[(1z,4r)-2,4-dimethyldec-1-en-1-yl]-3,9-dihydroxy-2,6-dimethylnona-4,6-dien-2-yl]-2-hydroxypyran-4-one
(1r,3ar,3bs,5r,5as,7s,9as,9br,11ar)-3a,3b-dihydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-5-yl acetate
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3-methylbut-2-enoyl)oxy]oxan-3-yl dodecanoate
(2s,3s)-2-{[(2s)-2-(dimethylamino)-4-methylpentanoyl]oxy}-n-[(2s)-1-[(2r)-2-[(2r)-2-isopropyl-3-methoxy-5-oxo-2h-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylpentanimidic acid
(1s,2s,4s,8s,9s,11r,12s,13r,14r,16r)-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-diene-11,14,16-triol
3-[(2s,3s,4r,6r)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(4e,6e)-8-[(1z)-2,4-dimethyldec-1-en-1-yl]-3,9-dihydroxy-2,6-dimethylnona-4,6-dien-2-yl]-4-hydroxypyran-2-one
4-(5-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-8-(acetyloxy)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethoxy)-4-oxobutan-2-yl 3-(acetyloxy)butanoate
3-(acetyloxy)-2-(hydroxymethyl)-5-[(2-methylpropanoyl)oxy]-6-(2,3,4-trihydroxybutoxy)oxan-4-yl tetradecanoate
(2r,3r,4s,5r,6r)-2-(hydroxymethyl)-6-[(1's,2r,2's,4's,7's,8'r,9's,12's,13'r,14's,15's,16'r)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-15',16'-dioloxy]oxane-3,4,5-triol
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl octadec-11-enoate
(1s)-1-{[(2s)-1-[(2r)-2-[(2r)-2-isopropyl-3-methoxy-5-oxo-2h-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl](methyl)carbamoyl}-2-methylpropyl (2s)-2-(dimethylamino)-4-methylpentanoate
10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,8,8a,10,11,12b,13,14,14b-tetradecahydropicen-13-yl 4-hydroxy-3-methoxybenzoate
7,9-dihydroxy-15-{1-hydroxy-4-[hydroxy(4-hydroxyphenyl)methyl]-1,3,3,6-tetramethyl-3a,4,5,7a-tetrahydro-2h-inden-5-yl}-4,8-dimethylpentadeca-2,4,10,12,14-pentaenoic acid
2-[15-(hexadecan-2-yl)-5,13-dihydroxy-7,14-dimethyl-11-methylidene-2,8-dioxo-1-oxa-4,7,12-triazacyclopentadeca-4,9,12-trien-3-yl]-2-hydroxyethanimidic acid
2-{2-[(2-{[1,2-dihydroxy-3-(methylamino)decylidene]amino}-1-hydroxy-3-methylbutylidene)amino]-n,4-dimethylpentanamido}-3-(4-hydroxyphenyl)propanoic acid
2-(2-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,4-dimethylpentanamido)-3-(4-hydroxyphenyl)propanoic acid
(1s,2r,4as,4br,6ar,7r,8r,9r,10ar,10br)-1,8,9-trihydroxy-4',4',4a,4b,7,10a-hexamethyl-3,4,5,6,6a,8,9,10,10b,11-decahydro-1h-spiro[chrysene-2,1'-cyclopentan]-7-ylmethyl 3-(4-hydroxyphenyl)prop-2-enoate
2-({3-[(1ar,2s,7r,7ar,7bs)-1,1,7,7a-tetramethyl-1ah,2h,4h,5h,6h,7h,7bh-cyclopropa[a]naphthalen-2-yl]-5-butanoyl-2,4,6-trihydroxyphenyl}methyl)-6-acetyl-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
(2s)-4-[(1r,4ar,5s,6r,8s,8ar)-5-[(2s,3as,6ar)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-8-(acetyloxy)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethoxy]-4-oxobutan-2-yl (3s)-3-(acetyloxy)butanoate
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-4-[(2-methylpropanoyl)oxy]-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylpropanoate
17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl 3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
(1s,2s,3ar,5r,10r,11s,13r,13ar)-3a,11,13-tris(acetyloxy)-10-[(2s)-butan-2-yloxy]-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1h,2h,3h,5h,10h,11h,13h,13ah-cyclopenta[12]annulen-1-yl acetate
(3z,5z,7z,9z,11z,13s,14r,16r,18r,22s,24r,26r,27z,29s,30s)-14,16,18,20,22,24,26-heptahydroxy-30-isopropyl-13,29-dimethyl-1-oxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one
10,14,15-trimethoxy-4,20-dimethyl-28-oxa-4,20-diazaheptacyclo[27.2.2.1⁷,¹¹.1¹³,¹⁷.1²³,²⁷.0³,⁸.0²¹,³⁵]hexatriaconta-1(31),7,9,11(36),13,15,17(35),23,25,27(34),29,32-dodecaen-26-ol
(2r,3r,4s,5s,6r)-3-(acetyloxy)-2-(hydroxymethyl)-5-[(2-methylpropanoyl)oxy]-6-[(2r,3s)-2,3,4-trihydroxybutoxy]oxan-4-yl tetradecanoate
(16e)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl (3r)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
(2s,3s,4s,7r,8s,11r,13r,16e)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl (3r)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
7-hydroxy-1-(6-hydroxy-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
n-[(2r,3e)-4-[(9r,10r,14ar,16ar,17s,19s,20ar,20br)-17-(c-hydroxycarbonimidoyloxy)-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9h,10h,14ah,16ah,17h,18h,19h,20h,20ah-naphtho[2,1-h]oxacyclohexadecan-9-yl]pent-3-en-2-yl]ethanimidic acid
C36H50N2O6 (606.3668680000001)