Exact Mass: 412.1845568
Exact Mass Matches: 412.1845568
Found 500 metabolites which its exact mass value is equals to given mass value 412.1845568,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Bisindolylmaleimide i
C25H24N4O2 (412.18991639999996)
GF 109203X
C25H24N4O2 (412.18991639999996)
D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Isopentyl gentiobioside
Isopentyl gentiobioside is found in garden tomato. Isopentyl gentiobioside is a constituent of tomato cell cultures (Lycopersicon esculentum). Constituent of tomato cell cultures (Lycopersicon esculentum). Isopentyl gentiobioside is found in garden tomato.
Dicaffeoylputrescine
Dicaffeoylputrescine is found in fats and oils. Dicaffeoylputrescine is an alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Dicaffeoylputrescine is found in pomes and fats and oils.
Adapalene
Adapalene is a topical retinoid primarily used in the treatment of acne and is also used (off-label) to treat keratosis pilaris as well as other skin conditions. It is currently marketed by Galderma under the trade names Differin in some countries, and Adaferin in India. [Wikipedia] D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
17-Hydroxypregnenolone sulfate
17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids (Wikipedia). 17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Deoxypyridinoline
Deoxypyridinoline (DPD) is a breakdown product of type I fibrillar collagen, it occurs mainly in Type I collagen of bone. DPD shows a high specificity for bone, and the measurement of urinary DPD is not influenced by newly collagens and dietary intake. DPD cross-links of type 1 collagen are excreted in urine either as free or peptide-bound moieties. It is the peptide-bound cross-links that decrease by the greatest amount in response to bisphosphonate therapy. DPD is one of the most extensively characterized biochemical bone markers, but the interpretation of results is hampered by biologic and other preanalytical variability. Biochemical bone markers can provide a valuable tool in the management of metabolic bone diseases. Their most recognized application in clinical practice is for monitoring treatment for osteoporosis as an adjunct to bone mineral density measurements. Other applications that have been investigated include their use as a diagnostic tool for bone diseases other than osteoporosis and as predictive markers for bone loss and the risk of bone fracture. DPD measured in urine follow a circadian or diurnal cycle with a peak in the early morning and nadir in the late afternoon to early evening. The magnitude of the diurnal change, i.e., nadir concentration divided by peak concentration, expressed as a percentage is around 70\\% (range, 53-75\\%). (PMID: 11805003, 17229003, 16751696). Derived from collagen cross-links formed between adjacent lysine residues in type I collagen of bone and dentine. Released into serum during bone resorption
Cinalukast
C23H28N2O3S (412.18205380000006)
Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
17-Hydroxypregnenolone 3-sulfate
Brucein E
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
6-(2,6-Dimethoxypyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
Rhomellose
3-[5-[(Dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
C21H25FN6O2 (412.20229219999993)
3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one
C23H28N2O3S (412.18205380000006)
Trachyspic acid
An oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase.
Penicitrinol B
A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol
(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol
(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol
Bm 567
C18H28N4O5S (412.17803180000004)
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Gardneramine
A natural product found in Gardneria ovata. Annotation level-1 (1R,3Z,4R,4aS,11bR,12aS,13S)-3,4,4a,5,12,12a-Hexahydro-8,10,11-trimethoxy-3-(2-methoxyethylidene)-4,1,11b-ethanylylidene-2H-pyrido[2′,3′:5,6]oxepino[2,3-b]indole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=34274-91-4 (retrieved 2024-08-14) (CAS RN: 34274-91-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol
(1S,4E,5S,6R,6aS,11aR)-6-[(acetyloxy)methyl]-4-ethylidene-1,2,3,4,5,6-hexahydro-11a,6a-(epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylic acid methyl ester|17-O-acetylaspidodasycarpine|aspidophylline B
12,13-dimethoxy-19-oxo-ibogamine-18-carboxylic acid methyl ester|19-Oxo-conopharyngin
1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide
(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside
6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin
(6b)|14-hydroxy-vomicine 21alpha,22alpha-epoxide|21,22alpha-epoxy-4,14-dihydroxy-19-methyl-(21alpha)-21,22-dihydro-16,19-seco-strychnidine-10,16-dione
(5beta)-17-O-deacetyl-5,11-dimethoxyakuammiline|methyl (5beta,15alpha,16R,19E)-17-hydroxy-5,11-dimethoxyakuammilan-16-carboxylate
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one
3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone
9,10,12,18-tetramethoxy-5,16-cyclo-corynoxa-16,19-dien-2-one
(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D
pentyl O-beta-(2-O-beta-D-glucopyranosyl)-D-glucopyranoside
(19R)-1-acetyl-17,19-epoxy-12-hydroxy-11-methoxy-4-methyl-3,4-seco-cur-20-en-3-one|12-hydroxy-11-methoxy-strychnobrasiline|12-Hydroxy-11-methoxystrychnobrasilin|12-Hydroxy-11-methoxystrychnobrasiline
jerantinine D
An indole alkaloid that is jerantinine C substituted by an epoxy group across positions 14 and 15. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial
(3S)-3-hydroxy-16-hydroxymethyl-1,4-dimethyl-1H-2alpha,4-cyclo-3,4;4,21-diseco-akuammilane-17,21-dioic acid 17->3-lactone 21-methyl ester|(E)-2-((1S)-4-hydroxymethyl-9,10-dimethyl-3-oxo-3,4-dihydro-9H-9at,4at-[1]azapropano-1r,4c-ethano-pyrano[3,4-b]indol-13syn-yl)-but-2-enoic acid methyl ester|Eripin|eripine
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
Brucein E
Brucein E is a natural product found in Brucea javanica with data available.
C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
9-OH-Risperidone
C22H25FN4O3 (412.1910591999999)
CONFIDENCE standard compound; INTERNAL_ID 1568
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_45.6\\%
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_67.4\\%
Ala Ala Asp His
C16H24N6O7 (412.17063939999997)
Ala Ala His Asp
C16H24N6O7 (412.17063939999997)
Ala Asp Ala His
C16H24N6O7 (412.17063939999997)
Ala Asp His Ala
C16H24N6O7 (412.17063939999997)
Ala Glu Gly His
C16H24N6O7 (412.17063939999997)
Ala Glu His Gly
C16H24N6O7 (412.17063939999997)
Ala Glu Pro Pro
Ala Gly Glu His
C16H24N6O7 (412.17063939999997)
Ala Gly His Glu
C16H24N6O7 (412.17063939999997)
Ala His Ala Asp
C16H24N6O7 (412.17063939999997)
Ala His Asp Ala
C16H24N6O7 (412.17063939999997)
Ala His Glu Gly
C16H24N6O7 (412.17063939999997)
Ala His Gly Glu
C16H24N6O7 (412.17063939999997)
Ala His Ser Val
Ala His Val Ser
Ala Pro Glu Pro
Ala Pro Pro Glu
Ala Ser His Val
Ala Ser Val His
Ala Val His Ser
Ala Val Ser His
Cys Pro Pro Pro
C18H28N4O5S (412.17803180000004)
Asp Ala Ala His
C16H24N6O7 (412.17063939999997)
Asp Ala His Ala
C16H24N6O7 (412.17063939999997)
Asp His Ala Ala
C16H24N6O7 (412.17063939999997)
Glu Ala Gly His
C16H24N6O7 (412.17063939999997)
Glu Ala His Gly
C16H24N6O7 (412.17063939999997)
Glu Ala Pro Pro
Glu Gly Ala His
C16H24N6O7 (412.17063939999997)
Glu Gly His Ala
C16H24N6O7 (412.17063939999997)
Glu His Ala Gly
C16H24N6O7 (412.17063939999997)
Glu His Gly Ala
C16H24N6O7 (412.17063939999997)
Glu Pro Ala Pro
Glu Pro Pro Ala
Gly Ala Glu His
C16H24N6O7 (412.17063939999997)
Gly Ala His Glu
C16H24N6O7 (412.17063939999997)
Gly Glu Ala His
C16H24N6O7 (412.17063939999997)
Gly Glu His Ala
C16H24N6O7 (412.17063939999997)
Gly His Ala Glu
C16H24N6O7 (412.17063939999997)
Gly His Glu Ala
C16H24N6O7 (412.17063939999997)
Gly His Ile Ser
Gly His Leu Ser
Gly His Ser Ile
Gly His Ser Leu
Gly His Thr Val
Gly His Val Thr
Gly Ile His Ser
Gly Ile Ser His
Gly Leu His Ser
Gly Leu Ser His
Gly Ser His Ile
Gly Ser His Leu
His Ala Ala Asp
C16H24N6O7 (412.17063939999997)
His Ala Asp Ala
C16H24N6O7 (412.17063939999997)
His Ala Glu Gly
C16H24N6O7 (412.17063939999997)
His Ala Gly Glu
C16H24N6O7 (412.17063939999997)
His Asp Ala Ala
C16H24N6O7 (412.17063939999997)
His Glu Ala Gly
C16H24N6O7 (412.17063939999997)
His Glu Gly Ala
C16H24N6O7 (412.17063939999997)
His Gly Ala Glu
C16H24N6O7 (412.17063939999997)
His Gly Glu Ala
C16H24N6O7 (412.17063939999997)
His Gly Leu Ser
Pro Ala Glu Pro
Pro Ala Pro Glu
Pro Cys Pro Pro
C18H28N4O5S (412.17803180000004)
Pro Glu Ala Pro
Pro Glu Pro Ala
Pro Pro Ala Glu
Pro Pro Cys Pro
C18H28N4O5S (412.17803180000004)
Pro Pro Glu Ala
Pro Pro Pro Cys
C18H28N4O5S (412.17803180000004)
Ser Ile His Gly
Ser Leu Gly His
Ser Leu His Gly
Ser Val Ala His
Ser Val His Ala
Thr Gly His Val
Thr Gly Val His
Thr His Gly Val
Thr His Val Gly
Thr Val Gly His
Thr Val His Gly
Val Ala His Ser
Val Ala Ser His
Val Gly His Thr
Val Gly Thr His
Val His Ala Ser
Val His Gly Thr
Val His Ser Ala
Val His Thr Gly
Val Ser Ala His
Val Ser His Ala
Val Thr Gly His
Val Thr His Gly
Cinalukast
C23H28N2O3S (412.18205380000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
Dicaffeoylputrescine
Isopentyl gentiobioside
4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate
2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione
4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate
ST 21:2;O3;S
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
C26H24N2O3 (412.17868339999995)
1H-Pyrrolo[2,3-b]pyridine, 5-Methyl-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
(3s)-3-(Benzyloxycarbonyl-carboxyMethyl-amino)-pyrrolidine-1-carboxylic acid benzyl ester
Promethazine hcl
C20H29ClN2O5 (412.17648940000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
(R-2-AMINO-1,1-DIFLUORO2-PHENYL)ETHYLPHOSPHONICACID
(S)-2-(((BENZYLOXY)CARBONYL)(1-((BENZYLOXY)CARBONYL)PYRROLIDIN-3-YL)AMINO)ACETIC ACID
N2-(4-METHOXYPHENYL)-N4,N6-DI-M-TOLYL-1,3,5-TRIAZINE-2,4,6-TRIAMINE
C24H24N6O (412.20114939999996)
Decloxizine (dihydrochloride)
C21H30Cl2N2O2 (412.16842199999996)
Decloxizine dihydrochloride(UCB-1402; NSC289116) is a histamine 1 receptor antagonist.
BIX02188
C25H24N4O2 (412.18991639999996)
BIX02188 is a potent MEK5-selective inhibitor with an IC50 of 4.3 nM. BIX02188 inhibits ERK5 catalytic activity, with an IC50 of 810 nM.
1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone
4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol
C25H24N4O2 (412.18991639999996)
6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one
C26H24N2O3 (412.17868339999995)
N-{5-[4-(4-Methylpiperazin-1-YL)phenyl]-1H-pyrrolo[2,3-B]pyridin-3-YL}nicotinamide
C24H24N6O (412.20114939999996)
5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile
Atr kinase inhibitor AZD6738
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
ADAPALENE
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-
C18H28N4O5S (412.17803180000004)
4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
Gardneramine
3,4,6-Trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene is a member of indoles. 3,4,6-Trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene is a natural product found in Pinalia multiflora, Gardneria ovata, and Gardneria multiflora.
Brucein E
Ultiva
C20H29ClN2O5 (412.17648940000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
17-Hydroxypregnenolone 3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine
N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide
C23H28N2O3S (412.18205380000006)
4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
C25H24N4O2 (412.18991639999996)
[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
1-[2-[(3-Cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-(1,3-Benzoxazol-2-ylamino)-7-phenyl-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
C25H24N4O2 (412.18991639999996)
2-[(5-Phenyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
C25H24N4O2 (412.18991639999996)
(1R,12S,13S,16Z,17R,19S)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-benzylacetamide
C19H28N2O6S (412.16679880000004)
2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H24N2O3 (412.17868339999995)
[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C21H27F3N2O3 (412.19736680000005)
1-[(2S,3S)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone
C21H27F3N2O3 (412.19736680000005)
(1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
C19H28N2O6S (412.16679880000004)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
C19H28N2O6S (412.16679880000004)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
C19H28N2O6S (412.16679880000004)
[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C21H27F3N2O3 (412.19736680000005)
[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C21H27F3N2O3 (412.19736680000005)
1-[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone
C21H27F3N2O3 (412.19736680000005)
(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide
dimethyl (1R,16R,18R,21S)-12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
2-[(3R)-3-benzylpiperazin-1-yl]-4-(4-imidazol-1-ylphenoxy)pyrimidine
C24H24N6O (412.20114939999996)
(16E)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
1,6,9,15-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,16-tetramethyl-10,11-dioxatetracyclo[7.7.1.02,6.013,17]heptadec-3-ene-5,14-dione
7-Benzyloxy-2,3-dihydro-2,2-dimethyl-O,6-BI(4H-1-benzopyran)-4-one
17alpha-hydroxypregnenolone 3-sulfate
A steroid sulfate that is 17alpha-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.
Desmethyl cariprazine
C20H30Cl2N4O (412.17965499999997)
Desmethyl cariprazine is an active metabolite of Cariprazine[1]. Cariprazine, an antipsychotic agent candidate, exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM)[2].
HIF1-IN-3
C26H24N2O3 (412.17868339999995)
HIF1-IN-3 (compound F4) is a potent HIF1 inhibitor with an EC50 value of 0.9 μM. HIF1-IN-3 can be used for researching anticancer[1].
methyl (14e)-14-ethylidene-5,6-dimethoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid
(4s,4ar,5r,6s)-3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile
4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione
methyl (12r,20r,21r,24r)-20,21-dihydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
(1r,2s,3s,7s,8r,9s,12r,13r,14s,15r,16r,17s)-3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
methyl (1s,12r,19r,20r,21r,24r)-20,21-dihydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
methyl (11r,14e,15s,17s)-14-ethylidene-5,6-dimethoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-(4-hydroxyphenyl)prop-2-enoate
(1's,2s,3'r,4s,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s,4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2e)-n-(4-aminobutyl)-3-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid
4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
methyl (1r,12s,13r,15s,20r)-12-ethyl-4,5-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.0¹,⁹.0²,⁷.0¹³,¹⁵.0¹⁷,²⁰]icosa-2,4,6,9-tetraene-10-carboxylate
7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoate
{1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acid
(12r,15s,16r,17r)-16-[(2r)-2-hydroxy-3-methylbutanoyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one
10,11-dimethoxynareline
{"Ingredient_id": "HBIN000011","Ingredient_name": "10,11-dimethoxynareline","Alias": "NA","Ingredient_formula": "C22H24N2O6","Ingredient_Smile": "CC=C1C2CC3C4=NC5=CC(=C(C=C5C4(C2C(=O)OC)C6C1N3OC6O)OC)OC","Ingredient_weight": "412.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6269","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101730876","DrugBank_id": "NA"}
19-(r)-acetoxydihydrogelsevirine
{"Ingredient_id": "HBIN002212","Ingredient_name": "19-(r)-acetoxydihydrogelsevirine","Alias": "NA","Ingredient_formula": "C23H28N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "161","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19-(r)-acetyldihydrogelseevirine
{"Ingredient_id": "HBIN002213","Ingredient_name": "19-(r)-acetyldihydrogelseevirine","Alias": "NA","Ingredient_formula": "C23H28N2O5","Ingredient_Smile": "CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)OC)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26100","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
22-o-acetyl-nb-demethyl-echitamine
{"Ingredient_id": "HBIN003743","Ingredient_name": "22-o-acetyl-nb-demethyl-echitamine","Alias": "NA","Ingredient_formula": "C23H28N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "372","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
22-o-acetyl-n-demethyl-echitamine
{"Ingredient_id": "HBIN003744","Ingredient_name": "22-o-acetyl-n-demethyl-echitamine","Alias": "NA","Ingredient_formula": "C23H28N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26103","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S,3S)- pterosin S- 14- O- β-glucopyranoside
{"Ingredient_id": "HBIN006732","Ingredient_name": "(2S,3S)- pterosin S- 14- O- \u03b2-glucopyranoside","Alias": "NA","Ingredient_formula": "C20H28O9","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCOC3C(C(C(C(O3)CO)O)O)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3r,4s,5r,6r)-2-[3-(3,4-dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-2-methylbut-2-enoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s)-pentan-2-yloxy]oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(12s,13s,16e,17s)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.0¹,⁹.0²,⁷.0¹²,¹⁷.0¹⁴,¹⁹]icosa-2,4,6,8-tetraene
(12s,13s,16z,17s)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.0¹,⁹.0²,⁷.0¹²,¹⁷.0¹⁴,¹⁹]icosa-2,4,6,8-tetraene
(1r,3r,4s,9s,16s,18s,19s,21s)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile
2-[(benzylsulfanyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
C24H28O4S (412.17082080000006)
2'-hydroxy-4-(1-hydroxyethyl)-12'-(2-hydroxypropan-2-yl)-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione
(3s,4s,5s)-5-{[(1s,2r,8ar)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-(chloromethyl)-4-hydroxy-2-oxooxolan-3-yl acetate
C22H33ClO5 (412.20163980000007)
methyl (1s,4s,15r,16r,21s,24r)-21-hydroxy-23-oxo-8,10-dioxa-5,18-diazaheptacyclo[14.5.2.1¹,¹⁵.0⁴,¹⁵.0⁶,¹⁴.0⁷,¹¹.0¹⁸,²⁴]tetracosa-6,11,13-triene-4-carboxylate
methyl (1s,9r,10s,13e,14r,15r)-15-[(acetyloxy)methyl]-13-ethylidene-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6-triene-15-carboxylate
(1r,2r,3r,6r,8s,11s,12s,13s,14r,15r,16s,17r)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one
6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one
(1r,4r,12r,16s)-7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.0¹,¹⁶.0⁴,¹².0⁶,¹¹.0¹²,¹⁶]docosa-6(11),7,9-trien-18-one
methyl (2z)-2-[(3s,6's,7'r,8'as)-6'-ethenyl-2-hydroxy-4-methoxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
2,18-dimethyl 18-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate
methyl (1s,9r,10r,12s,13e,18r)-18-[(acetyloxy)methyl]-13-ethylidene-10-hydroxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-triene-18-carboxylate
(12r,15s,16r,17r)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
(1s,4s,6r,8s,9r,10r,11r)-10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl (2z)-3-(methylsulfanyl)prop-2-enoate
16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione
(21r)-5,16-dihydroxy-21-isopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaene-10,11-dione
1-{1-methoxy-4'-methyl-2-oxo-9'-oxa-4'-azaspiro[indole-3,7'-tetracyclo[6.3.1.0²,⁶.0⁵,¹¹]dodecan]-2'-yl}ethyl acetate
methyl (12r,21r,24r)-21-hydroxy-20-oxo-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10-triene-21-carboxylate
(12r,15s,16r,17r)-16-[(2s)-2-hydroperoxy-3-methylbut-3-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
methyl (1s,15r,16r,20s)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
(1s,6r,8r,11r,12r,13s,23s)-16,23-dihydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15,17,19-triene-21,24-dione
(9e,11s,12s)-6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one
(2r)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
3,7,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
methyl (1r,9r,11s,14e,15r,17s,19r)-14-ethylidene-5,6-dimethoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
methyl 12-{1-[(ethoxycarbonyl)oxy]ethyl}-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
methyl (1r,12r,19r)-12-[(1s)-1-(acetyloxy)ethyl]-5-hydroxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.0¹,¹⁶.0⁴,¹².0⁶,¹¹.0¹²,¹⁶]docosa-6(11),7,9-trien-18-one
methyl (2z)-2-[(3r,6'r,7's,8'as)-6'-ethenyl-2-hydroxy-4-methoxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
1-acetyl-5-hydroxy-6-[(2r,4r,5s,6r)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-3-methyl-2h-benzo[f]isoindole-4,9-dione
(1r,2r,3r,6r,8s,11s,12s,13s,14r,15r,16s,17s)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one
16-(2-hydroxy-3-methylbutanoyl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
8-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
2-(hydroxymethyl)-6-[(1,7,14-trihydroxytetradeca-4,12-dien-8,10-diyn-6-yl)oxy]oxane-3,4,5-triol
7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,3r)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile
6-(1,2-dihydroxyethyl)-2,5,7-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one
(2s,3s,5s)-2-(carboxymethyl)-8-nonyl-9-oxo-1,6-dioxaspiro[4.4]non-7-ene-2,3-dicarboxylic acid
methyl (13e)-15-[(acetyloxy)methyl]-13-ethylidene-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6-triene-15-carboxylate
methyl (1r,10s,12r,13e,16s,18r)-13-ethylidene-4,5,16-trimethoxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
[(1r,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
(2s,3s)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one
2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate
3,12,13,14,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
(8s)-8,10-dihydroxy-7-methoxy-3-[(2e,4r)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one
(2r,3r,4r)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate
(1s,5r,11s,12r,15s,16s)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione
(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4,7,8-trihydroxy-4'-(1-hydroxyethyl)-5-methoxy-3,3,5a-trimethyl-4,5,7,8-tetrahydro-3ah-spiro[indeno[4,5-c]furan-6,2'-oxolane]-1,5'-dione
3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.0¹,⁹.0²,⁷.0¹²,¹⁷.0¹⁴,¹⁹]icosa-2,4,6,8-tetraene
(12r,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
methyl (1r,15r,16s,20s)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
16,23-dihydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15,17,19-triene-21,24-dione
(3s,5'r,6's)-5'-ethenyl-2-hydroxy-4-methoxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-6'-ylmethyl (2e)-3-methoxyprop-2-enoate
(1's,2s,2'r,3's,4s,5'r,7'r,8's,9'r,12's)-2'-hydroxy-4-[(1r)-1-hydroxyethyl]-12'-(2-hydroxypropan-2-yl)-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione
(1'r,2s,2's,3'r,4r,5'r,7's,8's,9's,12'r)-4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione
(1s,9s,10r,13r,21r)-8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.0¹,⁹.0²,⁷.0¹⁴,²¹]henicosa-2,4,6,14-tetraen-19-one
(1r,6s,7r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one
methyl (1r,9s,11s,14e,15s,17s,19r)-14-ethylidene-19-(hydroxymethyl)-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
3',8',9'-trihydroxy-4-(1-hydroxyethyl)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione
(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2r,3r)-6-[(1s)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one
4-[(1r,2r,3s,4s)-2-[4-(acetyloxy)-3-methoxyphenyl]-3,4-dimethylcyclobutyl]-2-methoxyphenyl acetate
methyl 12-ethyl-4-hydroxy-5-methoxy-16-oxo-14-oxa-8,17-diazahexacyclo[10.7.1.0¹,⁹.0²,⁷.0¹³,¹⁵.0¹⁷,²⁰]icosa-2,4,6,9-tetraene-10-carboxylate
methyl (14e)-14-ethylidene-19-(hydroxymethyl)-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl 3-(methylsulfanyl)prop-2-enoate
2,18-dimethyl (1s,9r,16r,18s,21s)-18-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate
[(1s,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate
(1r,4r,5r,6s,7r,8r,11r,13s,16s,17s,18s,19r)-4,5,7,8,16,17-hexahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(1r)-1-[(1'r,2'r,3s,5's,6's,8'r,11's)-1-methoxy-4'-methyl-2-oxo-9'-oxa-4'-azaspiro[indole-3,7'-tetracyclo[6.3.1.0²,⁶.0⁵,¹¹]dodecan]-2'-yl]ethyl acetate
n-(4-aminobutyl)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid
(1r,5as,9r,9as,9br)-1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
5,16-dihydroxy-21-isopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaene-10,11-dione
4-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
(1r,2s,3s,7r,9r,12r,13r,14s,15r,16r,17s)-3,7,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one
(12r,15s,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
4-(chloromethyl)-4-hydroxy-2-oxo-5-[(1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl)methyl]oxolan-3-yl acetate
C22H33ClO5 (412.20163980000007)