Exact Mass: 408.1566288
Exact Mass Matches: 408.1566288
Found 335 metabolites which its exact mass value is equals to given mass value 408.1566288,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
MK-329
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist Same as: D02693 Devazepide (L-364,718) is a potent, competitive, selective and orally active nonpeptide antagonist of cholecystokinin (CCK) receptor, with IC50s of 81 pM, 45 pM and 245 nM for rat pancreatic, bovine gallbladder and guinea pig brain CCK receptors, respectively. Devazepide (L-364,718) is effective for gastrointestinal disorders[1].
9-Hydroxycalabaxanthone
9-Hydroxycalabaxanthone is found in fruits. 9-Hydroxycalabaxanthone is a constituent of Garcinia mangostana (mangosteen)
Garcimangosone B
Garcimangosone B is found in fruits. Garcimangosone B is a constituent of the dry fruit hulls of Garcinia mangostana (mangosteen). Constituent of the dry fruit hulls of Garcinia mangostana (mangosteen). Garcimangosone B is found in fruits.
Bakkenolide D
C21H28O6S (408.16065080000004)
Constituent of Petasites japonicus (sweet coltsfoot). Bakkenolide D is found in giant butterbur and green vegetables. Bakkenolide D is found in giant butterbur. Bakkenolide D is a constituent of Petasites japonicus (sweet coltsfoot)
Mammea A/AC cyclo F
Mammea A/AC cyclo F is found in fruits. Mammea A/AC cyclo F is a constituent of Mammea americana (mamey). Constituent of Mammea americana (mamey). Mammea A/AC cyclo F is found in fruits.
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one is found in fruits. 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one is isolated from Mammea americana (mamey) seeds. Isolated from Mammea americana (mamey) seeds. 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one is found in fruits.
6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid
6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid is found in fruits. 6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid is a constituent of the fruit hulls of Garcinia mangostana (mangosteen). Constituent of the fruit hulls of Garcinia mangostana (mangosteen). 6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid is found in fruits.
Melatonin glucuronide
C19H24N2O8 (408.15325839999997)
Melatonin glucuronide is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
Clobetasone
C22H26ClFO4 (408.15035580000006)
Montirelin
Sabiporide
C18H19F3N6O2 (408.15215099999995)
N-[4-(Benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
OCHROCARPIN E
A furanocoumarin that is 2,3-dihydro-7H-furo[2,3-f]chromen-7-one substituted by a hydroxy group at position 4, a 2-hydroxypropan-2-yl group at position 2, a 2-methylpropanoyl group at position 5 and a phenyl group at position 9. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
1,2-Dihydro-5-hydroxy-2- (1-hydroxy-1-methylethyl) -4- (butyryl) -6-phenylfurano [ 2,3-h ] [ 1 ] benzopyran-8-one
1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
SSR161421
CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4517; ORIGINAL_PRECURSOR_SCAN_NO 4515 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4526; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4486; ORIGINAL_PRECURSOR_SCAN_NO 4482 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4512; ORIGINAL_PRECURSOR_SCAN_NO 4511 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4511; ORIGINAL_PRECURSOR_SCAN_NO 4509 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4499; ORIGINAL_PRECURSOR_SCAN_NO 4496 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8789 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8826; ORIGINAL_PRECURSOR_SCAN_NO 8825 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8842; ORIGINAL_PRECURSOR_SCAN_NO 8841 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8870; ORIGINAL_PRECURSOR_SCAN_NO 8865 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8884; ORIGINAL_PRECURSOR_SCAN_NO 8882 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8898; ORIGINAL_PRECURSOR_SCAN_NO 8897 ORIGINAL_PRECURSOR_SCAN_NO 8897; CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8898
(6aS)-6a-methyl-9-(2-methylbutyryl)-3-[(1S*,6S*)-6-methyl-2-oxocyclohex-3-enyl]-6aH-furo[2,3-h]isochromene-6,8-dione|multiformin B
2,2-Dimethyl-5,9-dihydroxy-8-(3-methyl-2-butenyl)-10-methoxy-2H,6H-pyrano[3,2-b]xanthene-6-one
1,4-Dimethyl-3-[4-(3-methyl-2-butenyloxy)benzyl]-3,6-bis(methylthio)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
O-(3-Methyl-2-butenyl)-3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione
C20H28N2O3S2 (408.15412580000003)
2,2-Dimethyl-5,9-dihydroxy-8-methoxy-12-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-b]xanthene-6-one
1,5-dihydroxy-3-methoxy-4-(1,1-dimethylprop-2-enyl)-18,18-dimethyl-2H-pyrano[7,6-b]xanthen-9-one|pedunxanthone C
1-[2,4-Dihydroxy-3-(2-hydroxybenzyl)-6-methoxyphenyl]-3-(4-methoxyphenyl)-1-propanone
1-O-(3-methylbut-3-en-1-yl)-6-O-beta-D-xylopyranosyl-beta-D-glucopyranose|nonioside L
C17H28O11 (408.16315380000003)
Garciniaxanthone F
An organic heteropentacyclic compound that is 6H-furo[3,2-c]xanthen-6-one substituted by hydroxy groups at positions 7 and 10, 2-methoxypropan-2-yl group at position 2 and a 2-methylbut-3-en-2-yl group at position 8. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity.
Bakkenolide D
C21H28O6S (408.16065080000004)
MLS001333651-01!Dehydroisoandrosterone 3-sulfate sodium salt hydrate1099-87-2
C19H29NaO6S (408.15824540000006)
Ala Cys Cys Ile
Ala Cys Cys Leu
Ala Cys Ile Cys
Ala Cys Leu Cys
Ala Asp Phe Gly
Ala Asp Gly Phe
Ala Phe Asp Gly
Ala Phe Gly Asp
Ala Gly Asp Phe
Ala Gly Phe Asp
Ala Gly Met Met
Ala Ile Cys Cys
Ala Leu Cys Cys
Ala Met Gly Met
Ala Met Met Gly
Cys Ala Cys Ile
Cys Ala Cys Leu
Cys Ala Ile Cys
Cys Ala Leu Cys
Cys Cys Ala Ile
Cys Cys Ala Leu
Cys Cys Ile Ala
Cys Cys Leu Ala
Cys Gly Met Val
Cys Gly Val Met
Cys Ile Ala Cys
Cys Ile Cys Ala
Cys Leu Ala Cys
Cys Leu Cys Ala
Cys Met Gly Val
Cys Met Val Gly
Cys Val Gly Met
Cys Val Met Gly
Asp Ala Phe Gly
Asp Ala Gly Phe
Asp Phe Ala Gly
Asp Phe Gly Ala
Asp Gly Ala Phe
Asp Gly Phe Ala
Asp Ser Ser Thr
C14H24N4O10 (408.14923639999995)
Asp Ser Thr Ser
C14H24N4O10 (408.14923639999995)
Asp Thr Ser Ser
C14H24N4O10 (408.14923639999995)
Glu Phe Gly Gly
Glu Gly Phe Gly
Glu Gly Gly Phe
Glu Ser Ser Ser
C14H24N4O10 (408.14923639999995)
Phe Ala Asp Gly
Phe Ala Gly Asp
Phe Asp Ala Gly
Phe Asp Gly Ala
Phe Glu Gly Gly
Phe Gly Ala Asp
Phe Gly Asp Ala
Phe Gly Glu Gly
Phe Gly Gly Glu
Gly Ala Asp Phe
Gly Ala Phe Asp
Gly Ala Met Met
Gly Cys Met Val
Gly Cys Val Met
Gly Asp Ala Phe
Gly Asp Phe Ala
Gly Glu Phe Gly
Gly Glu Gly Phe
Gly Phe Ala Asp
Gly Phe Asp Ala
Gly Phe Glu Gly
Gly Phe Gly Glu
Gly Gly Glu Phe
Gly Gly Phe Glu
Gly Met Ala Met
Gly Met Cys Val
Gly Met Met Ala
Gly Met Val Cys
Gly Val Cys Met
Gly Val Met Cys
Ile Ala Cys Cys
Ile Cys Ala Cys
Ile Cys Cys Ala
Leu Ala Cys Cys
Leu Cys Ala Cys
Leu Cys Cys Ala
Met Ala Gly Met
Met Ala Met Gly
Met Cys Gly Val
Met Cys Val Gly
Met Gly Ala Met
Met Gly Cys Val
Met Gly Met Ala
Met Gly Val Cys
Met Met Ala Gly
Met Met Gly Ala
Met Val Cys Gly
Met Val Gly Cys
Ser Asp Ser Thr
C14H24N4O10 (408.14923639999995)
Ser Asp Thr Ser
C14H24N4O10 (408.14923639999995)
Ser Glu Ser Ser
C14H24N4O10 (408.14923639999995)
Ser Ser Asp Thr
C14H24N4O10 (408.14923639999995)
Ser Ser Glu Ser
C14H24N4O10 (408.14923639999995)
Ser Ser Ser Glu
C14H24N4O10 (408.14923639999995)
Ser Ser Thr Asp
C14H24N4O10 (408.14923639999995)
Ser Thr Asp Ser
C14H24N4O10 (408.14923639999995)
Ser Thr Ser Asp
C14H24N4O10 (408.14923639999995)
Thr Asp Ser Ser
C14H24N4O10 (408.14923639999995)
Thr Ser Asp Ser
C14H24N4O10 (408.14923639999995)
Thr Ser Ser Asp
C14H24N4O10 (408.14923639999995)
Val Cys Gly Met
Val Cys Met Gly
Val Gly Cys Met
Val Gly Met Cys
Val Met Cys Gly
Val Met Gly Cys
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-7-(sulfooxy)-, endo-
9-Hydroxycalabaxanthone
Garcimangosone B
6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid
Clobetasone
C22H26ClFO4 (408.15035580000006)
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
6,8-Difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester
C19H22F2N4O4 (408.16090360000004)
(2R,3R)-1-CARBOXY-4-IODO-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE,95
Montirelin
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C76367 - Thyrotropin-Releasing Hormone Analogue D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(1R,2S)-Ethyl 1-amino-2-vinylcyclopropanecarboxylate hemisulfate
2-amino-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid,hydrochloride
C16H29ClN4O4S (408.15979440000007)
11,12-Dihydro-11,12-diphenylindolo[2,3-a]carbazole
Triethylene glycol 4-methylbenzyl ether tosylate
C21H28O6S (408.16065080000004)
N-(TRIPHENYLPHOSPHORANYLIDENE)-1H-BENZOTRIAZOLE-1-METHANAMINE
N-[4-(Benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
Sabiporide
C18H19F3N6O2 (408.15215099999995)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
N-[3-[2-(1-cyclohexenyl)ethylamino]-2-quinoxalinyl]benzenesulfonamide
Devazepide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist Devazepide (L-364,718) is a potent, competitive, selective and orally active nonpeptide antagonist of cholecystokinin (CCK) receptor, with IC50s of 81 pM, 45 pM and 245 nM for rat pancreatic, bovine gallbladder and guinea pig brain CCK receptors, respectively. Devazepide (L-364,718) is effective for gastrointestinal disorders[1].
N-[4-(dibutylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
C20H28N2O3S2 (408.15412580000003)
2-[[3-(2,6-dimethyl-4-morpholinyl)-2-quinoxalinyl]thio]-N-phenylacetamide
N-[4-[[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide
2-(4-Fluorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester
(2R,3R,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4R)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4R)-1-(benzenesulfonyl)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
(2R,3S,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(Z)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-naphthalen-2-ylprop-2-enamide
(2S)-2-[(2-aminoacetyl)amino]-N-[2-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyldisulfanyl]ethyl]propanamide
Dehydroisoandrosterone 3-sulfate sodium salt hydrate
C19H29NaO6S (408.15824540000006)
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one
LY2444296
LY2444296 is an orally bioavailable, high-affinity and selective short-acting kappa opioid receptor (KOPR) antagonist, with a Ki value of ～1 nM. LY2444296 exhibits anti-anxiety like effects[1][2].
RBC10
RBC10 is an anti-cancer agent. RBC10 inhibits the binding of Ral to its effector RALBP1. RBC10 also inhibits Ral-mediated cell spreading of murine embryonic fibroblasts and anchorage-independent growth of human cancer cell lines[1].
Tyrosylleucine (TFA)
Tyrosylleucine (Tyr-Leu, YL) TFA, an orally active dipeptide, exhibits a potent antidepressant-like activity[1].
methyl (2r)-4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-5-oxo-3-phenylfuran-2-carboxylate
methyl 4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-5-oxo-3-phenylfuran-2-carboxylate
5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-1,11-dioxatetracen-6-one
3',6'-dimethyl-1h,1''h-dispiro[2-benzoxepine-3,2'-[1,4]dioxane-5',3''-[2]benzoxepine]-9,9''-diol
3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl 3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
5,9-dihydroxy-8-methoxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
1,5-dihydroxy-3-methoxy-6',6'-dimethyl-2h-pyrano(2',3':6,7)-4-(3-methylbut-2-enyl)xanthone
{"Ingredient_id": "HBIN001659","Ingredient_name": "1,5-dihydroxy-3-methoxy-6',6'-dimethyl-2h-pyrano(2',3':6,7)-4-(3-methylbut-2-enyl)xanthone","Alias": "NA","Ingredient_formula": "C24H24O6","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC3=C(C4=C(C=CC(O4)(C)C)C=C3C2=O)O)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5973","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anhydromangostanol*
{"Ingredient_id": "HBIN016170","Ingredient_name": "anhydromangostanol*","Alias": "NA","Ingredient_formula": "C24H24O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1277","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bakkenolide d
C21H28O6S (408.16065080000004)
{"Ingredient_id": "HBIN017535","Ingredient_name": "bakkenolide d","Alias": "NA","Ingredient_formula": "C21H28O6S","Ingredient_Smile": "CC1CCC(C2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C)OC(=O)C=CSC","Ingredient_weight": "408.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2120","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137705098","DrugBank_id": "NA"}
4-[2-(13-bromo-6,10-dimethyltrideca-3,5-dien-12-yn-2-yl)cyclopropyl]butanoic acid
(8s)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-8h,9h-furo[2,3-h]chromen-2-one
(3r,6r)-1,4-dimethyl-3-[(4-{[(1e)-3-methylbut-1-en-1-yl]oxy}phenyl)methyl]-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
(2r,3ar,7ar)-3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl 3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
(2r)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(2-methylpropanoyl)-9-phenyl-2h,3h-furo[2,3-f]chromen-7-one
5,8-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
6-butanoyl-5,7-dihydroxy-8-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4-phenylchromen-2-one
5-hydroxy-4-methoxy-16,16-dimethyl-13-(3-methylbut-2-en-1-yl)-2,9,15-trioxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(11),3(8),4,6,12,14(19),17-heptaen-10-one
5,7-dihydroxy-6-[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]-8-(2-methylpropanoyl)-4-phenylchromen-2-one
(2s)-2-{[(2s)-2-{[(2r)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxypropylidene]amino}butanedioic acid
(8s)-6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-phenyl-8h,9h-furo[2,3-h]chromen-2-one
8-butanoyl-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-4-phenylchromen-2-one
5,9-dihydroxy-10-methoxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(2r,3r,3ar,4s,7s,7ar)-4-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-3-yl (2z)-3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
(2r,3r,3ar,4s,7s,7ar)-3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl (2z)-3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
(2s)-4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
5,10-dihydroxy-9-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-1,11-dioxatetracen-6-one
5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(2r,3r,3ar,4s,7s,7ar)-3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl (2e)-3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
8-butanoyl-5,7-dihydroxy-6-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4-phenylchromen-2-one
3,4',6-trimethoxy-4-(4-methoxyphenyl)-[1,1'-biphenyl]-2-yl acetate
(3r,6s)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
(1r,6r,13r)-13-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
1,4-dimethyl-3-({4-[(3-methylbut-1-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
4-[(1r,2r)-2-[(2s,3e,5e,10r)-13-bromo-6,10-dimethyltrideca-3,5-dien-12-yn-2-yl]cyclopropyl]butanoic acid
13-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
(8r)-6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-phenyl-8h,9h-furo[2,3-h]chromen-2-one
2,4',6-trimethoxy-4-(4-methoxyphenyl)-[1,1'-biphenyl]-3-yl acetate
6,12-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-1,10-dioxatetraphen-5-one
(1s,4as,5r,7s,7as)-4a,5-dihydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydrocyclopenta[c]pyran-7-yl acetate
C17H28O11 (408.16315380000003)
6-butanoyl-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-en-1-yl)-4-phenylchromen-2-one
4-hydroxy-6-[4-hydroxy-3-(2-methylprop-1-en-1-yl)phenyl]-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
22-hydroxy-10-methoxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3,9,11,14,16(21),19-heptaen-2-one
4-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-3-yl 3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
5,9-dihydroxy-8-methoxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-en-1-yl)-6-(2-methylpropanoyl)-4-phenylchromen-2-one
(3r,6r)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
(2s)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(2-methylpropanoyl)-9-phenyl-2h,3h-furo[2,3-f]chromen-7-one
(6as)-6a-methyl-3-[(1s,6s)-6-methyl-2-oxocyclohex-3-en-1-yl]-9-(2-methylbutanoyl)furo[2,3-h]isochromene-6,8-dione
(6as)-6a-methyl-3-[(1r,6r)-6-methyl-2-oxocyclohex-3-en-1-yl]-9-[(2r)-2-methylbutanoyl]furo[2,3-h]isochromene-6,8-dione
(3s,6r)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
7,12-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
6a-methyl-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9-(2-methylbutanoyl)furo[2,3-h]isochromene-6,8-dione
(2s)-4-hydroxy-6-[4-hydroxy-3-(2-methylprop-1-en-1-yl)phenyl]-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
(2s,3s,3as,4r,7r,7as)-3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl (2e)-3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
(3s,6s)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)