Exact Mass: 402.18647000000004
Exact Mass Matches: 402.18647000000004
Found 500 metabolites which its exact mass value is equals to given mass value 402.18647000000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Citreoviridin A
Citreoviridin A is a metabolite of Penicillium citreo-viride, Penicillium toxicarium, Penicillium ochrosalmoneum and Aspergillus terreus. It is isolated from mouldy rice. Toxin formerly responsible for epidemic-like occurrences of cardiac beriberi in East Asi
Cortisone acetate
Cortisone acetate is a steroid hormone that has both glucocoriticoid and mineral corticoid activities. Corticosteroids are used to provide relief for inflamed areas of the body. They lessen swelling, redness, itching, and allergic reactions. They are often used as part of the treatment for a number of different diseases, such as severe allergies or skin problems, asthma, or arthritis. Endogenous glucocorticoids and some synthetic corticoids have high affinity to the protein transcortin (also called CBG, corticosteroid-binding protein), whereas all of them bind albumin. Glucocorticoids also bind to the cytosolic glucocorticoid receptor. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents Cortisone acetate (Cortisone 21-acetate), an oxidized metabolite of Cortisol (a Glucocorticoid). Cortisone acetate acts as an immunosuppressant and anti-inflammatory agent. Cortisone acetate can partially intervene in binding of Glucocorticoid to Glucocorticoid-receptor at high concentrations[1][3][4].
Prednisolone Acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Virolongin B
Virolongin B is found in herbs and spices. Virolongin B is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Virolongin B is found in herbs and spices.
Melleolide F
Melleolide F is found in mushrooms. Melleolide F is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). Melleolide F is found in mushrooms.
Methyl 7-epi-12-hydroxyjasmonate glucoside
Methyl 7-epi-12-hydroxyjasmonate glucoside is found in potato. Methyl 7-epi-12-hydroxyjasmonate glucoside is isolated from potato leaves (Solanum tuberosum) and Jerusalen artichoke (Helianthus tuberosus Isolated from potato leaves (Solanum tuberosum) and Jerusalen artichoke (Helianthus tuberosus). Methyl 7-epi-12-hydroxyjasmonate glucoside is found in root vegetables and potato.
Armillyl orsellinate
Armillyl orsellinate is found in mushrooms. Armillyl orsellinate is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). Armillyl orsellinate is found in mushrooms.
Citreoviridin C
Citreoviridin C is a mycotoxin produced by the common soil organism Aspergillus terreu
D-Linalool 3-(6'-malonylglucoside)
D-Linalool 3-(6-malonylglucoside) is found in herbs and spices. D-Linalool 3-(6-malonylglucoside) is a constituent of Arabian jasmine (Jasminum sambac) buds. Constituent of Arabian jasmine (Jasminum sambac) buds. D-Linalool 3-(6-malonylglucoside) is found in herbs and spices.
Clocinizine
C26H27ClN2 (402.18626520000004)
Clocinizine is a first-generation diphenylmethylpiperazine H1-antihistamine. C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents
Bovilene
Citreoviridin
Pred Forte
D000893 - Anti-Inflammatory Agents
Dibenzo-P-dioxin
Schisanhenol
Schisanhenol is a natural compound solated from Schisandra rubriflora; UGT2B7 UDP-glucuronosyltransferases inhibitor. IC50 value: Target: in vitro: Schisanhenol exhibited strong inhibition toward UGT2B7, with the residual activity to be 7.9\\% of control activity [1]. The BAECs were cultured with ox-LDL (200 microg/ml) in the presence and absence of Sal (10 and 50 micromol L(- 1)) for 24 h. The cytotoxicity of ox-LDL was evaluated by LDH leakage, cell viability and morphological change. Cell apoptosis was estimated by DNA ladder, chromatin condensation, and flow cytometry assay. The intracellular ROS production was detected by using DCF, a ROS probe, with laser confocal microscopy and flow cytometry. Sal was shown to reduce LDH leakage and increase cell viability. Sal also attenuated ox-LDL-induced BAECs apoptosis as indicated in typical internucleosomal DNA degradation (DNA ladder), condensed chromatin, and the sub-G1 peak appearance in flow cytometry assay [2]. in vivo: Sal significantly impeded production of MDA and loss of ATPase activity induced by reoxygenation following anoxia. Oral administration of Sal induced increase of cytosol glutathione-peroxidase of brain in mice under the condition of reoxygenation following anoxia [4]. Schisanhenol is a natural compound solated from Schisandra rubriflora; UGT2B7 UDP-glucuronosyltransferases inhibitor. IC50 value: Target: in vitro: Schisanhenol exhibited strong inhibition toward UGT2B7, with the residual activity to be 7.9\% of control activity [1]. The BAECs were cultured with ox-LDL (200 microg/ml) in the presence and absence of Sal (10 and 50 micromol L(- 1)) for 24 h. The cytotoxicity of ox-LDL was evaluated by LDH leakage, cell viability and morphological change. Cell apoptosis was estimated by DNA ladder, chromatin condensation, and flow cytometry assay. The intracellular ROS production was detected by using DCF, a ROS probe, with laser confocal microscopy and flow cytometry. Sal was shown to reduce LDH leakage and increase cell viability. Sal also attenuated ox-LDL-induced BAECs apoptosis as indicated in typical internucleosomal DNA degradation (DNA ladder), condensed chromatin, and the sub-G1 peak appearance in flow cytometry assay [2]. in vivo: Sal significantly impeded production of MDA and loss of ATPase activity induced by reoxygenation following anoxia. Oral administration of Sal induced increase of cytosol glutathione-peroxidase of brain in mice under the condition of reoxygenation following anoxia [4].
(2R,3S,4As,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6',7'-dicarbaldehyde
gomisin K3
Schisanhenol is a natural product found in Schisandra rubriflora, Schisandra bicolor, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Schisanhenol is a natural compound solated from Schisandra rubriflora; UGT2B7 UDP-glucuronosyltransferases inhibitor. IC50 value: Target: in vitro: Schisanhenol exhibited strong inhibition toward UGT2B7, with the residual activity to be 7.9\\% of control activity [1]. The BAECs were cultured with ox-LDL (200 microg/ml) in the presence and absence of Sal (10 and 50 micromol L(- 1)) for 24 h. The cytotoxicity of ox-LDL was evaluated by LDH leakage, cell viability and morphological change. Cell apoptosis was estimated by DNA ladder, chromatin condensation, and flow cytometry assay. The intracellular ROS production was detected by using DCF, a ROS probe, with laser confocal microscopy and flow cytometry. Sal was shown to reduce LDH leakage and increase cell viability. Sal also attenuated ox-LDL-induced BAECs apoptosis as indicated in typical internucleosomal DNA degradation (DNA ladder), condensed chromatin, and the sub-G1 peak appearance in flow cytometry assay [2]. in vivo: Sal significantly impeded production of MDA and loss of ATPase activity induced by reoxygenation following anoxia. Oral administration of Sal induced increase of cytosol glutathione-peroxidase of brain in mice under the condition of reoxygenation following anoxia [4]. Schisanhenol is a natural compound solated from Schisandra rubriflora; UGT2B7 UDP-glucuronosyltransferases inhibitor. IC50 value: Target: in vitro: Schisanhenol exhibited strong inhibition toward UGT2B7, with the residual activity to be 7.9\% of control activity [1]. The BAECs were cultured with ox-LDL (200 microg/ml) in the presence and absence of Sal (10 and 50 micromol L(- 1)) for 24 h. The cytotoxicity of ox-LDL was evaluated by LDH leakage, cell viability and morphological change. Cell apoptosis was estimated by DNA ladder, chromatin condensation, and flow cytometry assay. The intracellular ROS production was detected by using DCF, a ROS probe, with laser confocal microscopy and flow cytometry. Sal was shown to reduce LDH leakage and increase cell viability. Sal also attenuated ox-LDL-induced BAECs apoptosis as indicated in typical internucleosomal DNA degradation (DNA ladder), condensed chromatin, and the sub-G1 peak appearance in flow cytometry assay [2]. in vivo: Sal significantly impeded production of MDA and loss of ATPase activity induced by reoxygenation following anoxia. Oral administration of Sal induced increase of cytosol glutathione-peroxidase of brain in mice under the condition of reoxygenation following anoxia [4].
Aurantiamide
C25H26N2O3 (402.19433260000005)
CONFIDENCE Culture of Penicillium eurotium strain Aurantiamide is a natural product found in Curcuma aromatica, Curcuma wenyujin, and other organisms with data available. Aurantiamide is an orally active constituent of Portulaca oleracea L and has various biological activities, including antioxidant, antiplatelet, anti-inflammatory, and antitumor activities[1]. Aurantiamide is an orally active constituent of Portulaca oleracea L and has various biological activities, including antioxidant, antiplatelet, anti-inflammatory, and antitumor activities[1].
1,2-Pentanediol, 5-(6-bromodecahydro-2-hydroxy-2,5,5a,8a-tetramethyl-1-naphthalenyl)-3-methylene-
C20H35BrO3 (402.17694200000005)
AVE5638
C25H23FN2O2 (402.17434699999995)
CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8392; ORIGINAL_PRECURSOR_SCAN_NO 8390 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8421; ORIGINAL_PRECURSOR_SCAN_NO 8418 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8427; ORIGINAL_PRECURSOR_SCAN_NO 8425 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8465; ORIGINAL_PRECURSOR_SCAN_NO 8463 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8474; ORIGINAL_PRECURSOR_SCAN_NO 8472 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8478; ORIGINAL_PRECURSOR_SCAN_NO 8477
4-methoxy-5-methyl-6-[(2S,3S)-2-methyl-3-[(2Z,4E)-4-methyl-5-[(1S,2S,4R,5R)-1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl]penta-2,4-dien-2-yl]oxiran-2-yl]pyran-2-one
laurendecumtriol|rel-(1R,2R,3R,6R)-3-bromo-alpha-ethenyl-6-hydroxy-2-[(2E)-4-hydroxy-4-methylpent-2-en-1-yl]-alpha,2,6-trimethylcyclohexanepropanol
C20H35BrO3 (402.17694200000005)
(1R,6R,9R)-6,9,11-trihydroxy-4,7-megastigmadien-3-one 11-O-beta-D-glucopyranoside
15beta-hydroxy-5,6-dehydrocalotropin|5,6-dehydrocalotropagenin
3beta-hydroxy-5alpha,6alpha-epoxy-beta-ionone-2alpha-Obeta-D-glucopyranoside
(+)-gomisin K2|(-)-gomisin K1|gomisin J|Gomisin K1|Gomisin K2
3alpha-(2-hydroxy-2-methyl-3-chloro-butyryloxy)-4alpha,11-dihydroxy-6,7-dehydroeudesman-8-one
(6S,7E,9S)-6,9,10-trihydroxy-4,7-megastigmadien-3-one 10-O-beta-D-glucopyranoside|(6S,7E,9xi)-6,9,10-trihydroxy-4,7-megastigmadien-3-one 10-O-beta-D-glucopyranoside|cucumegastigmane II|parvispinoside C
14alpha-hydroxy-7alpha-ethoxy-11,16-diketo-apian-8-en-(20,6)-olide
(1S,3S,5R,6R)-megastigman-3-ol-9-on-12(5)-olide beta-D-glucopyranoside|everlastoside A|supinaionoside A
(6S,7E,9S)-6,9,10-trihydroxy-4,7-megastigmadien-3-one 9-O-beta-D-glucopyranoside
(8S,8S)-3,4-methylenedioxy-3,4,9,9-tetramethoxylignan|5-demethoxyniranthin
(1R,2R)-2-[(2Z)-6-(beta-D-glucopyranosyloxy)-2-hexenyl]-3-oxocyclopentaneacetic acid
17-nor-15-oxo-8,11,13-abietatrien-7alpha-hydroxy-18-butanedioic acid|abiesanordine M
3alpha-isovaleryloxyleysseral (2-methylbutyrate)|3alpha-isovaleryloxyleysseral <2-methylbutyrate>
2-(2,5-dimethoxyphenyl) tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)furan
6,12,14-trihydroxy-9alpha-(2-oxopropyl)abieta-5,8(14),12-triene-7,11-dione
(1S,3R,4S)-1-{2,6-dihydroxy-4-[(1S,2R)-2-hydroxy-1-methylpropyl]-3-methylphenyl}-3,4-dihydro-3,4,5-trimethyl-1H-2-benzopyran-6,8-diol|penidicitrinin B
(1R,2R,4E)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
(2R,6S,9S,7E)-trihydroxymegastigmane-4,7-dien-3-one 9-O-beta-glucopyranoside|sauroposide
Cortisone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents Cortisone acetate (Cortisone 21-acetate), an oxidized metabolite of Cortisol (a Glucocorticoid). Cortisone acetate acts as an immunosuppressant and anti-inflammatory agent. Cortisone acetate can partially intervene in binding of Glucocorticoid to Glucocorticoid-receptor at high concentrations[1][3][4].
6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one
C19H30O9_2-Cyclohexen-1-one, 4-[(1E)-3-(beta-D-glucopyranosyloxy)-1-buten-1-yl]-4-hydroxy-5-(hydroxymethyl)-3,5-dimethyl
C19H30O9_1-Cyclohexene-1-carboxylic acid, 6-[3-(beta-D-glucopyranosyloxy)butyl]-5,5-dimethyl-3-oxo
C23H30O6_2,4,6-Octatrienoic acid, (5aS,9aS,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-3,9b-dihydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E,6E)
C23H30O6_2-Formyl-1-hydroxy-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid
C19H30O9_(3E)-4-(8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-buten-2-yl beta-D-glucopyranoside
Citreoviridin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D001313 - Aurovertins
6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one [IIN-based on: CCMSLIB00000848362]
6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one [IIN-based: Match]
Ala Ala Asn Gln
Ala Ala Gln Asn
Ala Cys Ile Pro
Ala Cys Leu Pro
Ala Cys Pro Ile
Ala Cys Pro Leu
Ala Asp Pro Thr
Ala Asp Thr Pro
Ala Glu Pro Ser
Ala Glu Ser Pro
Ala Gly Gln Gln
Ala Ile Cys Pro
Ala Ile Pro Cys
Ala Leu Cys Pro
Ala Leu Pro Cys
Ala Asn Ala Gln
Ala Asn Gln Ala
Ala Pro Cys Ile
Ala Pro Cys Leu
Ala Pro Asp Thr
Ala Pro Glu Ser
Ala Pro Ile Cys
Ala Pro Leu Cys
Ala Pro Ser Glu
Ala Pro Thr Asp
Ala Gln Ala Asn
Ala Gln Gly Gln
Ala Gln Asn Ala
Ala Gln Gln Gly
Ala Ser Glu Pro
Ala Ser Pro Glu
Ala Thr Asp Pro
Ala Thr Pro Asp
Cys Ala Ile Pro
Cys Ala Leu Pro
Cys Ala Pro Ile
Cys Ala Pro Leu
Cys Ile Ala Pro
Cys Ile Pro Ala
Cys Leu Ala Pro
Cys Leu Pro Ala
Cys Pro Ala Ile
Cys Pro Ala Leu
Cys Pro Ile Ala
Cys Pro Leu Ala
Asp Ala Pro Thr
Asp Ala Thr Pro
Asp Pro Ala Thr
Asp Pro Thr Ala
Asp Thr Ala Pro
Asp Thr Pro Ala
Glu Ala Pro Ser
Glu Ala Ser Pro
Glu Gly Pro Thr
Glu Gly Thr Pro
Glu Pro Ala Ser
Glu Pro Gly Thr
Glu Pro Ser Ala
Glu Pro Thr Gly
Glu Ser Ala Pro
Glu Ser Pro Ala
Glu Thr Gly Pro
Glu Thr Pro Gly
Gly Ala Gln Gln
Gly Glu Pro Thr
Gly Glu Thr Pro
Gly Gly Asn Arg
Gly Gly Arg Asn
Gly Met Pro Val
Gly Met Val Pro
Gly Asn Gly Arg
Gly Asn Asn Val
Gly Asn Arg Gly
Gly Asn Val Asn
Gly Pro Glu Thr
Gly Pro Met Val
Gly Pro Thr Glu
Gly Pro Val Met
Gly Gln Ala Gln
Gly Gln Gln Ala
Gly Arg Gly Asn
Gly Arg Asn Gly
Gly Thr Glu Pro
Gly Thr Pro Glu
Gly Val Met Pro
Gly Val Asn Asn
Gly Val Pro Met
Ile Ala Cys Pro
Ile Ala Pro Cys
Ile Cys Ala Pro
Ile Cys Pro Ala
Ile Pro Ala Cys
Ile Pro Cys Ala
Leu Ala Cys Pro
Leu Ala Pro Cys
Leu Cys Ala Pro
Leu Cys Pro Ala
Leu Pro Ala Cys
Leu Pro Cys Ala
Met Gly Pro Val
Met Gly Val Pro
Met Pro Gly Val
Met Pro Val Gly
Met Val Gly Pro
Met Val Pro Gly
Asn Ala Ala Gln
Asn Ala Gln Ala
Asn Gly Gly Arg
Asn Gly Asn Val
Asn Gly Arg Gly
Asn Gly Val Asn
Asn Asn Gly Val
Asn Asn Val Gly
Asn Gln Ala Ala
Asn Arg Gly Gly
Asn Val Gly Asn
Asn Val Asn Gly
Pro Ala Cys Ile
Pro Ala Cys Leu
Pro Ala Asp Thr
Pro Ala Glu Ser
Pro Ala Ile Cys
Pro Ala Leu Cys
Pro Ala Ser Glu
Pro Ala Thr Asp
Pro Cys Ala Ile
Pro Cys Ala Leu
Pro Cys Ile Ala
Pro Cys Leu Ala
Pro Asp Ala Thr
Pro Asp Thr Ala
Pro Glu Ala Ser
Pro Glu Gly Thr
Pro Glu Ser Ala
Pro Glu Thr Gly
Pro Gly Glu Thr
Pro Gly Met Val
Pro Gly Thr Glu
Pro Gly Val Met
Pro Ile Ala Cys
Pro Ile Cys Ala
Pro Leu Ala Cys
Pro Leu Cys Ala
Pro Met Gly Val
Pro Met Val Gly
Pro Ser Ala Glu
Pro Ser Glu Ala
Pro Thr Ala Asp
Pro Thr Asp Ala
Pro Thr Glu Gly
Pro Thr Gly Glu
Pro Val Gly Met
Pro Val Met Gly
Gln Ala Ala Asn
Gln Ala Gly Gln
Gln Ala Asn Ala
Gln Ala Gln Gly
Gln Gly Ala Gln
Gln Gly Gln Ala
Gln Asn Ala Ala
Gln Gln Ala Gly
Gln Gln Gly Ala
Arg Gly Gly Asn
Arg Gly Asn Gly
Arg Asn Gly Gly
Ser Ala Glu Pro
Ser Ala Pro Glu
Ser Glu Ala Pro
Ser Glu Pro Ala
Ser Pro Ala Glu
Ser Pro Glu Ala
Thr Ala Asp Pro
Thr Ala Pro Asp
Thr Asp Ala Pro
Thr Asp Pro Ala
Thr Glu Gly Pro
Thr Glu Pro Gly
Thr Gly Glu Pro
Thr Gly Pro Glu
Thr Pro Ala Asp
Thr Pro Asp Ala
Thr Pro Glu Gly
Thr Pro Gly Glu
Val Gly Met Pro
Val Gly Asn Asn
Val Gly Pro Met
Val Met Gly Pro
Val Met Pro Gly
Val Asn Gly Asn
Val Asn Asn Gly
Val Pro Gly Met
Val Pro Met Gly
Citreoviridin C
Methyl 7-epi-12-hydroxyjasmonate glucoside
melleolide F
A sesquiterpenoid resulting from the formal condensation of the carboxy group of o-orsellinic acid with the 2-hydroxy group of (2R,2aS,4aS,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,6,7,7a,7b-octahydro-2aH-cyclobuta[e]indene-2,2a-diol. It is a metabolite isolated from the fungus Armillaria mellea.
Armillyl orsellinate
D-Linalool 3-(6''-malonylglucoside)
ST 23:5;O6
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents Cortisone acetate (Cortisone 21-acetate), an oxidized metabolite of Cortisol (a Glucocorticoid). Cortisone acetate acts as an immunosuppressant and anti-inflammatory agent. Cortisone acetate can partially intervene in binding of Glucocorticoid to Glucocorticoid-receptor at high concentrations[1][3][4].
Lorajmine
C22H27ClN2O3 (402.17101020000007)
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
l-n-valyl-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester hcl
C22H27ClN2O3 (402.17101020000007)
Pregn-4-en-18-al,21-(acetyloxy)-11-hydroxy-3,20-dioxo-, (11b)-
[2-[(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
TERT-BUTYL 4-(2-METHYL-6-((5-VINYLTHIAZOL-2-YL)AMINO)PYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE
Pregn-4-ene-3,20-dione,21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9b,11b)-
Ombrabulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
L-N-VALYL-L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER HYDROCHLORIDE
C22H27ClN2O3 (402.17101020000007)
Bovilene
D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents C78568 - Prostaglandin Analogue
SKF-96365
C22H27ClN2O3 (402.17101020000007)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
(R)-1-(3-BROMO-1,4-DIMETHOXY-NAPHTHALEN-2-YL)-PROPAN-2-OL
C25H26N2O3 (402.19433260000005)
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid bis(1-methylethyl) ester
1-(alpha-(2-piperidinioethoxycarbonyl)benzyl)piperidinium dichloride
C20H32Cl2N2O2 (402.18407119999995)
Turisteron
C23H30O4S (402.18647000000004)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
8-hydroxy-1,5-dimethyl-8-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
1-{3-[1-({5-[(2-Fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine
C25H23FN2O2 (402.17434699999995)
(2R,3S,4As,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6',7'-dicarbaldehyde
2-amino-3-hydroxy-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
6-amino-4-(2,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
1-[3-[4-(2-Fluorophenyl)-1-piperazinyl]propyl]-3-[4-(methylthio)phenyl]urea
4-hydroxy-5-(hydroxymethyl)-3,5-dimethyl-4-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
N-[2-[1-methyl-5-[[(4-methylphenyl)-oxomethyl]amino]-2-benzimidazolyl]ethyl]-2-furancarboxamide
4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]oxan-3-yl]benzamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3R,6R)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3S,6R)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
(6R,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3R,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3S,6R)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3R,6R)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3S,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3S,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3R,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
(4-fluorophenyl)-[(1S,5R)-7-[4-(4-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
C25H23FN2O2 (402.17434699999995)
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
C25H23FN2O2 (402.17434699999995)
(6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
2H-Pyran-2-one, 4-methoxy-3-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-, [2R-[2alpha(1E,3E,5E,7E),3beta,4alpha,5alpha]]-
3-Oxo-5,5-dimethyl-6-[3-(beta-D-glucopyranosyloxy)butyl]-1-cyclohexene-1-carboxylic acid
6-[(1E,3E,5E,7Z)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one
(2-hydroxy-3-phosphonooxypropyl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
Clocinizine
C26H27ClN2 (402.18626520000004)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
SSR411298
SSR411298 is an orally active, selective and reversible fatty acid amide hydrolase (FAAH) inhibitor. SSR411298 has the potential for post-traumatic stress disorder research[1].
(1s,2s,3s,4s)-4-bromo-2-[(3s)-3-hydroxy-3-methylpent-4-en-1-yl]-3-[(2e)-4-hydroxy-4-methylpent-2-en-1-yl]-1,3-dimethylcyclohexan-1-ol
C20H35BrO3 (402.17694200000005)
(4r)-4-{[(3s)-2,3-dihydroxyindol-3-yl]methyl}-1-(propan-2-ylidene)-2h,3h,4h-pyrazino[2,1-b]quinazolin-6-one
4-hydroxy-4-(3-hydroxybut-1-en-1-yl)-5,5-dimethyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
(9s,10r)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-ol
4-(4-hydroxy-2,2,6-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
methyl 2-[(1r,2r)-3-oxo-2-[(2z)-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl]acetate
(3e)-4-[(1r,4s,5s,6s)-5-hydroxy-2,2,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl 3-chloro-2-hydroxy-2-methylbutanoate
(3r,3as,4r,8ar)-3-hydroxy-3-isopropyl-6,8a-dimethyl-7-oxo-2,3a,4,8-tetrahydro-1h-azulen-4-yl 4-hydroxy-3-methoxybenzoate
(9s,10r)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-ol
5,5-dimethyl-3-oxo-6-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)cyclohex-1-ene-1-carboxylic acid
(1s,2s,4ar,8ar)-1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl (2r,3s)-3-chloro-2-hydroxy-2-methylbutanoate
methyl (1s,2s)-2,10-dimethyl-5-[(2s)-2-methyloctanoyl]-4-oxo-3,11-dioxatricyclo[6.4.0.0²,⁶]dodeca-5,7,9-triene-7-carboxylate
6,9-dihydroxy-4-(1h-indol-3-ylmethyl)-7-methyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
(3r,3as,4s,8r,8as)-3,8-dihydroxy-3-isopropyl-6,8a-dimethyl-7-oxo-2,3a,4,8-tetrahydro-1h-azulen-4-yl 4-methoxybenzoate
methyl (1s,4as,5s,8ar)-4a-[(acetyloxy)methyl]-5-[2-(furan-3-yl)-2-oxoethyl]-1-methyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylate
5-(2,5-dihydroxyphenyl)-5-ethoxy-3-[(3e,7z)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]furan-2-one
methyl 5-(acetyloxy)-3,6,14-trimethyl-2-oxo-4h,5h,8h,9h,12h,13h,15ah-cyclotetradeca[b]furan-10-carboxylate
(7r,8r)-7-hydroxy-3,7-dimethyl-6-oxo-8-[(3e)-2-oxoundec-3-en-1-yl]-8h-isochromene-5-carboxylic acid
2-{[hydroxy(phenyl)methylidene]amino}-n-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylpropanimidic acid
C25H26N2O3 (402.19433260000005)
methyl 2-[(1r,2r)-3-oxo-2-[(2z)-5-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl]acetate
(1r,2r)-methyl-5'-hydroxyjasmonate 5'-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003068","Ingredient_name": "(1r,2r)-methyl-5'-hydroxyjasmonate 5'-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H30O9","Ingredient_Smile": "COC(=O)CC1CCC(=O)C1CC=CCCOC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14502","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,6r,9s)-6,9,11-trihydroxy-4,7-megastigma-dien-3-one 11-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003164","Ingredient_name": "(1r,6r,9s)-6,9,11-trihydroxy-4,7-megastigma-dien-3-one 11-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H30O9","Ingredient_Smile": "CC(=O)C=CC12C(C(C(CC1(O2)C)O)OC3C(C(C(C(O3)CO)O)O)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21749","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-junipeionoloside
{"Ingredient_id": "HBIN012440","Ingredient_name": "6-hydroxy-junipeionoloside","Alias": "NA","Ingredient_formula": "C19H30O9","Ingredient_Smile": "CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)COC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "402.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10270","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100966498","DrugBank_id": "NA"}
ampelopsisrhamnoside
{"Ingredient_id": "HBIN015901","Ingredient_name": "ampelopsisrhamnoside","Alias": "NA","Ingredient_formula": "C19H30O9","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=CC(=C(C=C2)OC(CO)CO)C(=O)C)O)O)O","Ingredient_weight": "402.44","OB_score": "NA","CAS_id": "138614-65-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6824","PubChem_id": "101608827","DrugBank_id": "NA"}
apocynoside ii
{"Ingredient_id": "HBIN016509","Ingredient_name": "apocynoside ii","Alias": "NA","Ingredient_formula": "C19H30O9","Ingredient_Smile": "CC(C=CC1(C(=CC(=O)CC1(C)C)COC2C(C(C(C(O2)CO)O)O)O)O)O","Ingredient_weight": "402.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1530","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11025815","DrugBank_id": "NA"}
aurantiamid
C25H26N2O3 (402.19433260000005)
{"Ingredient_id": "HBIN017353","Ingredient_name": "aurantiamid","Alias": "NA","Ingredient_formula": "C25H26N2O3","Ingredient_Smile": "C1=CC=C(C=C1)CC(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32804","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
austroside a
{"Ingredient_id": "HBIN017384","Ingredient_name": "austroside a","Alias": "NA","Ingredient_formula": "C19H30O9","Ingredient_Smile": "CC1CC(=O)CC(C1(C=CC(=O)COC2C(C(C(C(O2)CO)O)O)O)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2022","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,5-dimethyl-8-(3-oxobutyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.2.1]octan-7-one
13-chloro-12-ethenyl-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.0⁵,¹⁸.0⁷,¹⁷.0¹¹,¹⁶]nonadeca-1(18),2,4,7(17),9,11(16)-hexaene-9-carbonitrile
C26H27ClN2 (402.18626520000004)
(3r,10r,11r)-10-chloro-2,6,10-trimethyl-12-(5-nitro-1h-pyrrol-3-yl)dodec-6-ene-2,3,11-triol
(12r,13r,15r)-13-chloro-12-ethenyl-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.0⁵,¹⁸.0⁷,¹⁷.0¹¹,¹⁶]nonadeca-1(18),2,4,7(17),9,11(16)-hexaene-9-carbonitrile
C26H27ClN2 (402.18626520000004)
4-hydroxy-4-[(1e)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
(2s)-5-[(1s,2r,4as,6r,8ar)-6-bromo-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]-3-methylidenepentane-1,2-diol
C20H35BrO3 (402.17694200000005)
(2s)-5-[(1s,2r,4as,6r,8as)-6-bromo-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]-3-methylidenepentane-1,2-diol
C20H35BrO3 (402.17694200000005)
(1s,5s,8s)-8-hydroxy-1,5-dimethyl-8-[(1e,3s)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
4-hydroxy-4-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
(4s)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-5,5-dimethyl-3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5r,7as)-5-butoxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4,6-dihydroxy-3,5,5-trimethyl-4-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)cyclohex-2-en-1-one
[3-oxo-2-(6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hex-2-en-1-yl)cyclopentyl]acetic acid
methyl 2-[3-oxo-2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl)cyclopentyl]acetate
(3e)-4-[(1r,4s,5s,6s)-4-hydroxy-2,2,6-trimethyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5s,7as)-5-butoxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,5s,8s)-8-hydroxy-1,5-dimethyl-8-[(1e,3r)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
(4s)-4-hydroxy-4-[(1e,3r)-4-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
(4s)-4-hydroxy-4-[(1e,3s)-3-hydroxybut-1-en-1-yl]-5,5-dimethyl-3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
2-{3-hydroxy-1-[3-(n-hydroxyacetamido)propyl]-2,5-dioxopyrrolidin-3-yl}-n-[3-(n-hydroxyacetamido)propyl]ethanimidic acid
4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
(3e)-4-[(1s,3r,4r,6r)-4-hydroxy-2,2,6-trimethyl-3-{[(3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
(4s)-4-hydroxy-4-[(1e,3s)-3-hydroxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
(1r,5r,8s)-8-hydroxy-1,5-dimethyl-8-[(1e,3s)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
(3e)-4-[(1s,3r,4s,6s)-3-hydroxy-2,2,6-trimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[2.2.1]heptan-1-yl]but-3-en-2-one
5-(6-bromo-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl)-3-methylidenepentane-1,2-diol
C20H35BrO3 (402.17694200000005)
(4s)-4-hydroxy-4-[(3s)-4-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
4-(4-hydroxy-2,2,6-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
(1r,4s,7s,9s)-6,9-dihydroxy-4-(1h-indol-3-ylmethyl)-7-methyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
7-isopropyl-1,1-dimethyl-5,6-dioxo-3,10a-dihydro-2h-phenanthren-2-yl benzoate
(3e)-4-[(1s,3s,4r,6r)-3-hydroxy-2,2,6-trimethyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
2-{[5-butoxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(6r)-5,5-dimethyl-3-oxo-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]cyclohex-1-ene-1-carboxylic acid
8-hydroxy-1,5-dimethyl-8-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)-6-oxabicyclo[3.2.1]octan-3-one
8-hydroxy-1,5-dimethyl-8-[(1e)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
4-[(2,3-dihydroxyindol-3-yl)methyl]-1-(propan-2-ylidene)-2h,3h,4h-pyrazino[2,1-b]quinazolin-6-one
(2s,10ar)-7-isopropyl-1,1-dimethyl-5,6-dioxo-3,10a-dihydro-2h-phenanthren-2-yl benzoate
4-[(1r,4s,5s,6s)-5-hydroxy-2,2,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
(1s,2s,3s,4s)-4-bromo-2-(3-hydroxy-3-methylpent-4-en-1-yl)-3-[(2e)-4-hydroxy-4-methylpent-2-en-1-yl]-1,3-dimethylcyclohexan-1-ol
C20H35BrO3 (402.17694200000005)
(2s)-2-{[hydroxy(phenyl)methylidene]amino}-n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylpropanimidic acid
C25H26N2O3 (402.19433260000005)
(4r,6r)-4,6-dihydroxy-3,5,5-trimethyl-4-[(1e,3s)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one
(4s)-4-hydroxy-4-[(1e,3s)-4-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
(4s)-4-hydroxy-3-(hydroxymethyl)-5,5-dimethyl-4-[(1e,3s)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one
4-hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,5-dimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
(1s,2r,4ar,8ar)-1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl (2r,3s)-3-chloro-2-hydroxy-2-methylbutanoate
2-(3-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3-methoxyphenyl}propoxy)-6-methyloxane-3,4,5-triol
4-(3-hydroxy-2,2,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
[(1r,2r)-3-oxo-2-[(2z)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hex-2-en-1-yl]cyclopentyl]acetic acid
(2r,3r,4r,5r,6s)-2-(3-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3-methoxyphenyl}propoxy)-6-methyloxane-3,4,5-triol
5-methoxy-8,8-dimethyl-3-[4-(3-methylbut-2-en-1-yl)phenyl]pyrano[3,2-g]chromen-4-one
(4s)-4-hydroxy-4-[(3r)-4-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
4-bromo-2-(3-hydroxy-3-methylpent-4-en-1-yl)-3-(4-hydroxy-4-methylpent-2-en-1-yl)-1,3-dimethylcyclohexan-1-ol
C20H35BrO3 (402.17694200000005)