Exact Mass: 510.3345066
Exact Mass Matches: 510.3345066
Found 460 metabolites which its exact mass value is equals to given mass value 510.3345066
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ganodermic acid TQ
Ganodermic acid TQ is found in mushrooms. Ganodermic acid TQ is a metabolite of Ganoderma lucidum (reishi).
LysoPG(18:1(9Z)/0:0)
LysoPG(18:1(9Z)/0:0) is a lysophosphatidylglycerol. It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic. However, it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Lysophosphatidylglycerols can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. LysoPG(18:1(9Z)/0:0), in particular, consists of one chain of oleic acid at the C-1 position.
Dodecyl-beta-D-maltoside
alpha-Tocopherol phosphate
C29H51O5P (510.34739260000003)
(S)-4-[(S)-2-((S)-1-Formyl-4-guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-3-(2-propyl-pentanoylamino)-butyric acid methyl ester
Cymegesolate
Dehydroeburicoic acid monoacetate
Dehydroeburicoic acid monoacetate is a natural product found in Wolfiporia cocos with data available. Dehydroeburicoic acid monoacetate (Compound 18) is a lanostane triterpenoid isolated from Wolfiporia cocos[1]. Dehydroeburicoic acid monoacetate (Compound 18) is a lanostane triterpenoid isolated from Wolfiporia cocos[1].
[1R-[1alpha(E),4beta,4abeta,5beta(E),6alpha,8aalpha]]-[4-(Acetyloxy)decahydro-6-hydroxy-1,4a,6-trimethyl-5-(3-methyl-2,4-pentadienyl)-1-naphthalenyl]methyl ester 3-(4-hydroxyphenyl)-2-propenoic acid
[1R-[1alpha(Z),4beta,4abeta,5beta(E),6alpha,8aalpha]]-[4-(Acetyloxy)decahydro-6-hydroxy-1,4a,6-trimethyl-5-(3-methyl-2,4-pentadienyl)-1-naphthalenyl]methyl ester 3-(4-hydroxyphenyl)-2-propenoic acid
Ganodermic acid TQ
Metabolite of Ganoderma lucidum (reishi). Ganodermic acid TQ is found in mushrooms.
7alpha-hydroperoxylabda-8,14-dien-13(R)-ol-4-O-acetyl-alpha-L-6-deoxyidopyranoside
(2beta,3beta,19alpha)-19-hydroxy-2,3-(isopropyledenedioxy)urs-13(18)-en-28-oic acid gamma-lactone|serrulatin A
7alpha-hydroperoxylabda-8(17),14-dien-13(R)-ol-4-O-acetyl-alpha-L-6-deoxyidopyranoside
2-[rel-(3R,3aR,6S,7S,9bR,)-6-(3-ethoxy-3-oxopropyl)-2,3,3a,4,6,7,8,9b-octahydro-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid|3,4-secolanosta-4(28),7,9(11),24(31)-tetraene-3,21-dioic acid-3-ethyl ester|poricoic acid CE
(8E,12E,14E)-3,6,7,16,21-pentahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide
isopimaryl 4beta<(3alpha-methyl-2beta-methoxycarbonyl)cyclopentyl>-2-pentenoate|isopimaryl 4beta[(3alpha-methyl-2beta-methoxycarbonyl)cyclopentyl]-2-pentenoate
(24Z)-12beta-acetoxylanosta-7,9(11),24-trien-26-oic acid|tyromycic acid G
24,25,26,27-tetranor-apotirucalla-(apoeupha)-1alpha-senecioyloxy-3alpha,7alpha-dihydroxy-14,20,22-trien-21,23-epoxy|meliacinolin
(2α,3β,5α,17β)-17-(1-methoxyethoxy)-17-methylandrostane-2,3-diol 3(β-δ-digitoxopyranoside)|(2α,3β,5δ,17β)-2-hydroxy-17-(1-methoxyethoxy)-17-methylandrostan-3-yl 2,5-dideoxy-D-ribo-hexopyranoside
(24S)-11alpha-acetoxy-ergostane-3beta,5alpha,6beta-triol|sarcoaldosterol A
3alpha-acetoxy-24-formylolean-11,13(18)-dien-28-oic acid
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
3-O,5-O-di-(2-methylbutyryl)-4-O-decanoyl-shikimic acid methyl ester|3-O,5-O-di-<2-methylbutyryl>-4-O-decanoyl-shikimic acid methyl ester
abiesanolide J|ethyl 3,4-seco-8(14->13R)abeo-17,13-friedo-9beta-lanosta-4(28),7,14,24-tetraen-26,23-olide-23-hydroxy-3-oate
(3beta,4beta,11alpha,12alpha,13beta)-11,12-epoxy-13-hydroxy-3,23-(isopropylidenedioxy)-30-norolean-20(29)-en-28-oic acid 28,13-lactone
His Gln Val Lys
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000845447]
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]
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PG(18:1/0:0)[U]
PG(18:1/0:0)
(5Z,7E)-(1S,3R)-11-(3-acetoxy-1-propynyl)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol
(7E)-(1R,2S,3R)-2-(benzyloxy)-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol
ZK 168281
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
LPG 18:1
2alpha-(benzyloxy)-1alpha,25-dihydroxy-19-norvitamin D3
Dodecyl-beta-D-maltoside
D013501 - Surface-Active Agents > D003902 - Detergents
carbanide,(2R,5R)-1-cyclopentyl-2,5-diethylphospholane,iron(2+)
Ethyl acrylate-acrylic acid-2-ethylhexyl acrylate-N-methylolacrylamide-acrylonitrile polymer
4-Hydroxy-2,2,6,6-tetramethyl-piperidinooxy sebacate
N-(butoxymethyl)prop-2-enamide,ethyl prop-2-enoate,methyl 2-methylprop-2-enoate,2-methylprop-2-enenitrile,2-methylprop-2-enoic acid
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine,2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl dihydrogen phosphate
C29H51O5P (510.34739260000003)
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
(S)-4-[(S)-2-((S)-1-Formyl-4-guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-3-(2-propyl-pentanoylamino)-butyric acid methyl ester
Narbomycin(1+)
An organic cation that is the conjugate acid of pikromycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Heptadecanoyllysophosphatidylcholine
C25H53NO7P+ (510.35594580000003)
[(2R)-1-hydroxy-3-phosphonooxypropan-2-yl] 22-hydroxydocosanoate
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (E)-octadec-11-enoate
Longirostrerone B
An azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a hydroxy group at position 7, a 4-hydroxy-2-methyl-6-oxocyclohexyl group at position 3, a methyl group at position 7 and a 5,7,9-trimethyl-2-oxoundeca-3,5-dien-1-yl group at position 8. Isolated from Chaetomium longirostre, it exhibits cytotoxic and antimalarial activities.
1-[(1S)-1-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]-2-(4-morpholinyl)ethanone
C29H42N4O4 (510.32058920000003)
1-[(1R)-1-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]-2-(4-morpholinyl)ethanone
C29H42N4O4 (510.32058920000003)
[3-[[(2S)-2,3-Dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (E)-octadec-9-enoate
(2S)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyl (9Z)-octadec-9-enoate
(2S)-1-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-3-hydroxypropan-2-yl (9Z)-octadec-9-enoate
(2R)-1-({[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-3-hydroxypropan-2-yl (9Z)-octadec-9-enoate
2-[[(2R)-3-hexadecanoyloxy-2-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-octadec-9-enoate
2-[[(2R)-2-formyloxy-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[[(2R)-2-acetyloxy-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C24H49NO8P+ (510.31956240000005)
2-[[(2R)-2-hexadecanoyloxy-3-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
N,N,N-Trimethyl-2-[[[(R)-2-acetyloxy-4-oxanonadecan-1-yloxy]phosphinato]oxy]ethanaminium
C25H53NO7P+ (510.35594580000003)
[O-[1-O-[(4Z)-2-Methoxy-4-hexadecenyl]-L-glycero-3-phospho]choline]anion
C25H53NO7P+ (510.35594580000003)
[(2R)-2-(5-hydroxypentanoyloxy)-3-phosphonooxypropyl] hexadecanoate
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate
2,3-dihydroxypropyl [2-hydroxy-3-[(Z)-nonadec-9-enoxy]propyl] hydrogen phosphate
2-[2,3-Di(octanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
C24H49NO8P+ (510.31956240000005)
2-[(3-Heptadecanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[(2-Acetyloxy-3-pentadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[(2-Heptadecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
[1-carboxy-3-[2-hydroxy-3-[(10E,13E,16E)-nonadeca-10,13,16-trienoyl]oxypropoxy]propyl]-trimethylazanium
2-[Hydroxy-(3-pentanoyloxy-2-undecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
C24H49NO8P+ (510.31956240000005)
2-[(3-Butanoyloxy-2-dodecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C24H49NO8P+ (510.31956240000005)
[3-[3-acetyloxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
2-[(2-Decanoyloxy-3-hexanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C24H49NO8P+ (510.31956240000005)
2-[(3-Heptanoyloxy-2-nonanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C24H49NO8P+ (510.31956240000005)
2-[(3-Acetyloxy-2-tetradecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C24H49NO8P+ (510.31956240000005)
2-[Hydroxy-(3-propanoyloxy-2-tridecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
C24H49NO8P+ (510.31956240000005)
2-[Hydroxy-(2-propanoyloxy-3-tetradecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[hydroxy-[(2R)-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxy-2-hydroxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[carboxy-[2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]methoxy]ethyl-trimethylazanium
2-[Hydroxy-(2-nonanoyloxy-3-octoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[(2-Butanoyloxy-3-tridecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[(3-Dodecoxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[Hydroxy-(3-nonoxy-2-octanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[(2-Hexanoyloxy-3-undecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
2-[(3-Decoxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C25H53NO7P+ (510.35594580000003)
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1-sn-glycerol)
(5Z,7E,22E)-(1S,3R,24R)-25-(carboethoxy-methylene)-26,26-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(3r,4r,4's,6r,6''s,9s,9''s,9ar,9''ar)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4-ol
C30H42N2O3S (510.29159820000007)
(1s,2s,3r,4e,6z,9z,16s,18r,32s,33s)-2,3-dihydroxy-14,29-diazapentacyclo[16.14.1.0¹,¹⁴.0¹⁶,³².0²⁹,³³]tritriaconta-4,6,9-triene-18-carbaldehyde
7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3a,11-triol
(1s,3as,5as,7r,8s,9ar,9br,11ar)-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-1-[(2r,3r,5s,6r)-2,3,7-trihydroxy-5,6-dimethylheptan-2-yl]-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
methyl (1r,2r,5s)-2-[(2r,3e)-5-{[(1r,4ar,4bs,7s,10ar)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-5-oxopent-3-en-2-yl]-5-methylcyclopentane-1-carboxylate
3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-1-(2,3,7-trihydroxy-5,6-dimethylheptan-2-yl)-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,3r)-3-[(3ar,3bs,5ar,9as,9bs)-3a,3b,6,6,9a-pentamethyl-2,7-dioxo-3h,4h,5h,5ah,8h,9h,9bh-cyclopenta[a]phenanthren-1-yl]-1-[(2r)-3,3-dimethyloxiran-2-yl]butyl acetate
(2e,5r)-5-{[(8r)-7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-6-[(2r)-2-methylbutanoyl]-5-oxochromen-8-yl]methyl}-2,6-dimethylhepta-2,6-dienoic acid
(3r,4s,4'r,6s,6''s,9r,9''r,9as,9''as)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4-ol
C30H42N2O3S (510.29159820000007)
(1s,3as,5as,7r,8s,9ar,9br,11ar)-3a,5a,7,8-tetrahydroxy-9a,11a-dimethyl-1-[(2r,3r,5r,6r)-2,3,7-trihydroxy-5,6-dimethylheptan-2-yl]-1h,2h,3h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,3s,7s,8s,11s,12s,14s,15r,16r)-15-[(2s,3r)-3-hydroxy-6-methyl-5-methylidene-4-oxoheptan-2-yl]-7,12,16-trimethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-4-en-14-yl acetate
5-{[7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-6-(2-methylbutanoyl)-5-oxochromen-8-yl]methyl}-2,6-dimethylhepta-2,6-dienoic acid
(2'r,4's,6'r,8''r)-5''-(2-hydroxyethyl)-2',8''-bis(hydroxymethyl)-4'-methoxy-2',4',6'',8''-tetramethyl-1',3',3'',4'',7'',9''-hexahydrodispiro[cyclopropane-1,5'-indene-6',2''-indeno[4,5-b]pyran]-7'-one
[(1r,4r,4as,5r,6r,8as)-4-(acetyloxy)-6-hydroxy-1,4a,6-trimethyl-5-[(2e)-3-methylpenta-2,4-dien-1-yl]-hexahydro-2h-naphthalen-1-yl]methyl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
(5s,6s)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid
20-hydroxy 24-hydroxymethyl ecdysone
{"Ingredient_id": "HBIN003408","Ingredient_name": "20-hydroxy 24-hydroxymethyl ecdysone","Alias": "NA","Ingredient_formula": "C28H46O8","Ingredient_Smile": "CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CC(CO)C(C)(C)O)O)O)O","Ingredient_weight": "510.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10203","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129716312","DrugBank_id": "NA"}
6-hydroxythiobinupharidine
C30H42N2O3S (510.29159820000007)
{"Ingredient_id": "HBIN012470","Ingredient_name": "6-hydroxythiobinupharidine","Alias": "NA","Ingredient_formula": "C30H42N2O3S","Ingredient_Smile": "CC1CCC(N2C1CCC3(C2)CC4(CCC5C(CCC(N5C4O)C6=COC=C6)C)SC3)C7=COC=C7","Ingredient_weight": "510.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19420;19421;19422","PubChem_id": "9936153","DrugBank_id": "NA"}
6-hydroxythionuphlutine b
C30H42N2O3S (510.29159820000007)
{"Ingredient_id": "HBIN012471","Ingredient_name": "6-hydroxythionuphlutine b","Alias": "NA","Ingredient_formula": "C30H42N2O3S","Ingredient_Smile": "CC1CCC(N2C1CCC3(C2)CC4(CCC5C(CCC(N5C4O)C6=COC=C6)C)SC3)C7=COC=C7","Ingredient_weight": "510.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19424;19425;19426","PubChem_id": "10984042","DrugBank_id": "NA"}
6'-hydroxythionuphlutine b
C30H42N2O3S (510.29159820000007)
{"Ingredient_id": "HBIN012472","Ingredient_name": "6'-hydroxythionuphlutine b","Alias": "NA","Ingredient_formula": "C30H42N2O3S","Ingredient_Smile": "CC1CCC(N2C1CCC3(C2)CC4(CCC5C(CCC(N5C4O)C6=COC=C6)C)CS3)C7=COC=C7","Ingredient_weight": "510.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19423","PubChem_id": "10164525","DrugBank_id": "NA"}
(1s,4r,9r,10s,13s,16r)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-16-yl (1s,2s,4s)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanedioate
(1s,3as,5as,6r,7s,8s,9ar,9bs,11ar)-3a,6,7,8-tetrahydroxy-9a,11a-dimethyl-1-[(2r,3r,5s)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
methyl 9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h,13bh-cyclopenta[a]chrysene-3a-carboxylate
3a,7,8-trihydroxy-9a,11a-dimethyl-1-[2,3,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(2z,6r)-6-[(1r,3as,5ar,9as,11r,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
(1'r,2r,2'r,4's,8'r,9'r,10'r,14's,15'r,17'r)-15',17'-dihydroxy-2',3,4,8',10',14',18',18'-octamethyl-5-oxo-5'-oxaspiro[furan-2,6'-pentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosane]-12',19'-diene-1'-carbaldehyde
3a,6,7,8-tetrahydroxy-9a,11a-dimethyl-1-(2,3,6-trihydroxy-5,6-dimethylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,3r)-3-[(3ar,3bs,9as)-3a,3b,6,6,9a-pentamethyl-2,7-dioxo-3h,4h,5h,5ah,8h,9h,9bh-cyclopenta[a]phenanthren-1-yl]-1-[(2r)-3,3-dimethyloxiran-2-yl]butyl acetate
(1s,4r,9r,10s,13s,16r)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-16-yl (1r,2s,4s)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl propanedioate
1-(7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl)ethanone
6-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
(4as,11as,11bs,13ar)-2-(acetyloxy)-10-methoxy-1,1,4a,6a,9,11b-hexamethyl-2h,3h,4h,4bh,5h,6h,11h,11ah,12h,13h,13ah-indeno[2,1-a]phenanthren-7-yl acetate
(1r,4r,9r,10s,13r,15r)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl (1s,2s,4s)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanedioate
(2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
(2z)-5-{[7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-6-(2-methylbutanoyl)-5-oxochromen-8-yl]methyl}-2,6-dimethylhepta-2,6-dienoic acid
2-[(1e,2s,3as,3bs,5as,6s,9ar,9bs,11ar)-2-(acetyloxy)-3a,3b,6,9a-tetramethyl-5,7-dioxo-2h,3h,4h,5ah,6h,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid
(2s,3s,4r,5r,6s)-6-{[(3r)-5-[(3r,4as,8as)-3-hydroperoxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
1,2,13,17-tetramethyl-7-(4-methylpent-3-en-1-yl)-6,16,20-trioxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-7-en-19-yl acetate
5-(acetyloxy)-2',4'b,7,8',8',10'a-hexamethyl-7'-oxo-3',4',4'a,5',6',8'a,9',10'-octahydro-2'h,3h-spiro[1-benzofuran-2,1'-phenanthren]-4-yl acetate
2-[6-(3-ethoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
(7r,8s)-7-hydroxy-3-[(1s,2s,4r)-4-hydroxy-2-methyl-6-oxocyclohexyl]-7-methyl-8-[(3e)-5,7,9-trimethyl-2-oxoundeca-3,5-dien-1-yl]-8h-isochromen-6-one
methyl (4as,6ar,6bs,8ar,10s,12as,14br)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-4a-carboxylate
(2r)-2-[(3r,3ar,6s,7s,9br)-6-(3-ethoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
(1s,2s,4s,9r,12s,13r,17s,18s,19s)-1,2,13,17-tetramethyl-7-(4-methylpent-3-en-1-yl)-6,16,20-trioxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-7-en-19-yl acetate
5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-16-yl 4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanedioate
6-{[5-(3-hydroperoxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
(2s,3s,4r,5r,6s)-6-{[(3r)-5-[(1r,3r,4as,8as)-3-hydroperoxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
6,10,10,14,15,18,21-heptamethyl-4,22-dioxo-23-oxahexacyclo[19.2.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-2-en-9-yl acetate
(2e,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
12-{7-[3-(2,3-dihydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl}-4,7,8-trihydroxy-7,11-dimethyl-1-oxacyclododec-9-en-2-one
(6r,17e,29e,31r)-1,6,31-trihydroxytritriaconta-17,29-dien-2,4,32-triyn-16-one
4,5,9,9,12,12,16,22,23-nonamethyl-11,13,27-trioxaheptacyclo[20.3.2.0¹,²¹.0⁴,²⁰.0⁵,¹⁷.0⁸,¹⁶.0¹⁰,¹⁴]heptacos-20-en-26-one
2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
[(1r,4r,4as,5r,6r,8ar)-4-(acetyloxy)-6-hydroxy-1,4a,6-trimethyl-5-[(2e)-3-methylpenta-2,4-dien-1-yl]-hexahydro-2h-naphthalen-1-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
6,9-bis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol
11-ethyl-2,7,20-trihydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20-tetraene-27,28-dione
methyl 3-{9-hydroxy-11,15-dimethyl-14-[1-(4-methylfuran-2-yl)propan-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.0¹,³.0⁴,⁸.0¹¹,¹⁵]heptadecan-3-yl}propanoate
5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl 4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanedioate
methyl 3-[(1s,3r,4r,8s,9r,10s,11s,14r,15r)-9-hydroxy-11,15-dimethyl-14-[(2r)-1-(4-methylfuran-2-yl)propan-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.0¹,³.0⁴,⁸.0¹¹,¹⁵]heptadecan-3-yl]propanoate
(3s,3ar,4s,6as,10s,17ar)-4-ethyl-1-hydroxy-3-[(1r)-1-(1h-indol-3-yl)ethyl]-5,10,12-trimethyl-3h,3ah,4h,6ah,9h,10h,13h,14h-cyclotrideca[d]isoindol-17-one
(2s)-2-[(3s,3as,6r,7r,9bs)-6-(3-ethoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
1-[(1s,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]ethanone
3-{3a,3b,6,6,9a-pentamethyl-2,7-dioxo-3h,4h,5h,5ah,8h,9h,9bh-cyclopenta[a]phenanthren-1-yl}-1-(3,3-dimethyloxiran-2-yl)butyl acetate
(3as,5ar,7r,8s,9ar,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2r,3r,5s)-2,3,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
6-hydroxy-4-(8-{4-hydroxy-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}-4,6-dimethylocta-2,6-dien-1-ylidene)-7-methyl-3h-2-benzopyran-1-one
(9e)-4,7,8-trihydroxy-12-[(2e,4e)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one
(17e,29e)-1,6,31-trihydroxytritriaconta-17,29-dien-2,4,32-triyn-16-one
methyl (1r,3as,5as,5br,7ar,9s,11ar,11br,13bs)-9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h,13bh-cyclopenta[a]chrysene-3a-carboxylate
(1s,3as,3br,7s,9ar,9bs,11r,11as)-7-{[(2r,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-1-[(1s)-1-hydroxyethyl]-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3a,11-triol
4,7,8-trihydroxy-12-{6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl}-7,11-dimethyl-1-oxacyclododec-9-en-2-one
(1s,3as,5ar,7r,8s,9ar,9br,10r,11ar)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2r,3r,5r)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4''-ol
C30H42N2O3S (510.29159820000007)
methyl 4-(decanoyloxy)-3,5-bis[(2-methylbutanoyl)oxy]cyclohex-1-ene-1-carboxylate
(4z)-6-hydroxy-4-[(2e,4r,6e)-8-[(2r,4s,6r,8r,9s)-4-hydroxy-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethylocta-2,6-dien-1-ylidene]-7-methyl-3h-2-benzopyran-1-one
(2z,6r)-6-[(1r,3ar,5ar,9as,11ar)-3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2r,3r,5s,6r)-2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl tridecanoate
7'-hydroxy-10'-(hydroxymethyl)-5,6,6',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaen-3'-one
(3r,4'r,4''r,6s,6''s,9r,9''r,9as,9''as)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4''-ol
C30H42N2O3S (510.29159820000007)
(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2r,3r,5s)-2,3,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(4e)-6-hydroxy-4-[(2e,4r,6e)-8-[(2r,4s,6r,8r,9s)-4-hydroxy-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethylocta-2,6-dien-1-ylidene]-7-methyl-3h-2-benzopyran-1-one
6-[3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
(1's,2r,5s,6r,10'e,12'z,14'r,16'z,19'r)-7'-hydroxy-10'-(hydroxymethyl)-5,6,6',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaen-3'-one
3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-(2,3,5-trihydroxy-5,6-dimethylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
{3a,6,6,11a-tetramethyl-1-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-9a-yl}methyl acetate
methyl (3r,4s,5r)-4-(decanoyloxy)-3,5-bis({[(2r)-2-methylbutanoyl]oxy})cyclohex-1-ene-1-carboxylate
(1s,2s,4s,5r,6s,9s,14r,15r,18r,19s,22s,27r)-6,11,11,14,18,19-hexamethyl-25-methylidene-3,10,12,28-tetraoxaoctacyclo[20.5.2.0¹,¹⁹.0²,⁴.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴.0²²,²⁷]nonacosan-29-one
methyl 2-{5-[(7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl)methoxy]-5-oxopent-3-en-2-yl}-5-methylcyclopentane-1-carboxylate
6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-1'-ium-1'-olate
C30H42N2O3S (510.29159820000007)
(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(3r)-2,3,5,6-tetrahydroxy-5,6-dimethylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
3a,7,8-trihydroxy-9a,11a-dimethyl-1-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1r,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2r,3r,5s)-2,3,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,3as,5ar,7r,8s,9ar,9br,10r,11ar)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2r,3r,5s)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizin]-4-ol
C30H42N2O3S (510.29159820000007)