Exact Mass: 268.1548752
Exact Mass Matches: 268.1548752
Found 500 metabolites which its exact mass value is equals to given mass value 268.1548752,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Diethylstilbestrol
Diethylstilbestrol is a synthetic estrogen that was developed to supplement a womans natural estrogen production. In 1971, the Food and Drug Administration (FDA) issued a Drug Bulletin advising physicians to stop prescribing DES to pregnant women because it was linked to a rare vaginal cancer in female offspring. Diethylstilbesterol is found in gram bean. Diethylstilbestrol is a synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens
Michlers ketone
INTERNAL_ID 250; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9487 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9500; ORIGINAL_PRECURSOR_SCAN_NO 9498 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9534; ORIGINAL_PRECURSOR_SCAN_NO 9532 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9547; ORIGINAL_PRECURSOR_SCAN_NO 9546 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9468 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 2291 CONFIDENCE standard compound; INTERNAL_ID 8123 CONFIDENCE standard compound; INTERNAL_ID 4144
Equilin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D04041
Histidylleucine
C12H20N4O3 (268.15353300000004)
Histidylleucine is a dipeptide composed of histidine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
4-METHYL-2,4-BIS(4-HYDROXYPHENYL)PENT-1-ENE
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is found in potato. 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is a stress metabolite from Ipomoea batatas (sweet potato). Stress metabolite from Ipomoea batatas (sweet potato). 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is found in root vegetables and potato.
Isoleucyl-Histidine
C12H20N4O3 (268.15353300000004)
Isoleucyl-Histidine is a dipeptide composed of isoleucine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylisoleucine
C12H20N4O3 (268.15353300000004)
Histidylisoleucine is a dipeptide composed of histidine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Leucyl-Histidine
C12H20N4O3 (268.15353300000004)
Leucyl-Histidine is a dipeptide composed of leucine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hesperaline
Hesperaline is found in brassicas. Hesperaline is an alkaloid from seeds of damask violet (Hesperis matronalis Cruciferae
Estra-1,3,5,7,9-pentaene-3,17beta-diol
4-Bis(2-hydroxyethyl)amino-L-phenylalanine
C13H20N2O4 (268.14230000000003)
Histidinyl-Leucine
C12H20N4O3 (268.15353300000004)
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S,3S)-2-amino-3-methylpentanoate
C12H20N4O3 (268.15353300000004)
Estrogen
A steroid hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. (ChEBI). Estrogen is found in date and apricot. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens
Ramacemide
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System D020011 - Protective Agents
2-Methyl-6-methoxy-4-phenyl-2,3-dihydro-3,3-dimethylbenzofuran
3,4-dihydroxy-5-(1-hydroxy-1,5-dimethyl-4-hexenyl)-2-methylenecyclohexanone|antheminone C
Salviolone
Salviolone is a natural product found in Salvia miltiorrhiza and Salvia paramiltiorrhiza with data available.
mitissimolone|rel-(2R,3aS,4R,6S,8R,8aS)-2,8-dihydroxy-3a,6-dimethyl-4-(2-methylprop-1-en-1-yl)octahydro-5H-cyclohepta[b]furan-5-one
peroxylippidulcine C|rel-(6S,1S,4S)-6-(1-hydroxy-4-hydroperoxy-1,5-dimethyl-5-hexenyl)-3-methyl-2-cyclohexenone
2-[(1R*,4R*,4aR*,6S*,8aR*)-1,2,3,4,4a,5,6,8a-octahydro-4,6-dihydroxy-4,7-dimethylnaphthalen-1-yl]propanoic acid|2beta,9alpha-dihydroxycadin-3(4)-en-12-acid|indicumolide C
4-hydroxy-5-(1-hydroxy-1,5-dimethyl-4-hexenyl)-2-(hydroxymethyl)-2-cyclohexen-1-one|antheminone A
3alpha,4beta-dihydroxy-5betaH,11alphaH-eudesman-6,12-olide|3??,4??-Dihydroxy-5??H,11??H-eudesman-6,12-olide
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
(1S,9S)-2alpha,3beta,6alpha-trihydroxy-4alpha,11,11,8beta-tetramethyltricyclo[5.4.0.02,5]undecan-7-one|fascicularone C
1-oxo-2beta-[3-butanone]-3alpha-methyl-6beta-[2-propanol formyl ester]-cyclohexane|1-Oxo-2??-[3-butanone]-3??-methyl-6??-[2-propanol formyl ester]-cyclohexane|2-<1-(formyloxy)prop-2-yl>-5-methyl-6-(3-oxobutyl)cyclohexanone
pyxidatol B|rel-(1R,2S,2aR,4aR,6S,7aR,7bS)-2,2a,4a,5,6,7,7a,7b-octahydro-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]indene-1,2-diol
(6S,1S)-6-(1-hydroxy-5-hydroperoxy-1,5-dimethyl-3-hexenyl)-3-methyl-2-cyclohexenone|peroxylippidulcine A
(1S,4R,5S,7R,10R)-1,5-epidioxy-4-hydroperoxycarot-2-ene|(5alpha,8alpha,9alpha)-form-5,9-Epidioxy-8-hydroperoxy-6-daucene|1,5-epidioxy-4-hydroperoxycarot-2-ene
(1beta,7beta,8beta,10beta)-1,8,11-trihydroxy-4-guaien-3-one|(1beta,7beta,8beta,10beta)-1,8,11-trihydroxyguai-4-en-3-one|1beta-hydroxytorilolone|2-(5S,6R,8S,8aS)-4,5,6,7,8,8a-hexahydroazulen-6,8a-dihydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2(1H)-one
1b-Ethyl-1a,1b,3,4,8c,9,10,10a-octahydro-2H-oxireno(4,5-b(pyrido(3,2-c(carbazole
4alpha,5alpha-epoxy-6alpha-hydroxy amorphan-12-oic acid|4alpha,5alpha-epoxy-6alpha-hydroxyamorphan-12-oic acid|4??,5??-Epoxy-6??-hydroxy amorphan-12-oic acid
(9E)-4-oxo-7-hydroxy-11-hydroperoxy-bisabola-2,9-diene
3-Methyl-4-hydroxy-6-(1,5-dimethyl-4-hydroperoxy-5-hexenyl)-2-cyclohexene-1-one
(5S,5aR,7S,8aS)-hexahydro-7-(hydroxymethyl)-1,7-dimethyl-1H-spiro[cyclopropane-1,9-[2]oxa[1,4]methanocyclopenta[c]oxepine]-4,5(3H)-diol|dichomilludol
(2S,4S,4aR,6R,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobuta[e]indene-2,4-diol|5-hydroxydichomitol|protoillud-6-ene-5alpha,8beta,13,15-tetrol
5alpha,8alpha-epoxy-4alpha,6beta-dihydroxyamorphan-2-one
1beta,4beta,5beta-trihydroxy-7(11),9-germacradien-8-one|heyneanone A
1S-(2R-hydroxymethylacetoxy)-4R, 8S-dimethylspiro[4.5]dec-7-one
4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one
holostylactone|rel-(5S,8R)-5,9,9-trimethyl-8-(3-oxobutyl)oxonane-2,6-dione
1-hydroxy-1-(1-oxo-3-methylbutyl)-2-acetoxy-3,5,5-trimethyl-3-cyclopentene
5alpha,6alpha-dihydroxy-4alphaH,11alphaH-eudesma-12,8beta-olide
(3R,5R,6S,7S,10R)-2,6,10-Trimethyl-3,5-dioxy-7,10-epoxydodeca-1,11-dien-5-ol
(4beta,6alpha,8alpha,11betaH)-4,6-Dihydroxy-12,8-eudesmanolide
(2R,4S,5E,7S)-2-Hydroxy-7-isopropyl-4-methyl-10-oxo-5-undecen-4-olide
3-hydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
3-[1-[(5-Ethenyl-5-methyltetrahydrofuran)-2-yl]ethyl]-6,6-dimethyl-3,6-dihydro-1,2-dioxin-3-ol
5beta-hydroxy-4,9-oxidogermacr-11alpha-H,13-6,12-olide
(1R,2S,6R,7S,10S)-1,2,6-trihydroxyeudesma-4-en-3-one
1alpha-aldehyde-2beta-[3-butanone]-3alpha-methyl-6beta-[2-propanoic acid]-cyclohexane|1??-Aldehyde-2??-[3-butanone]-3??-methyl-6??-[2-propanoic acid]-cyclohexane
1beta,10alpha-dihydroxy-11betaH-eremophylan-12,8beta-olide
ent-Corey PG-Lactone Diol
Heudelotine
Heudelotine is a natural product found in Jatropha curcas and Ricinodendron heudelotii with data available.
Diethylstilbestrol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens CONFIDENCE standard compound; INTERNAL_ID 4237 CONFIDENCE standard compound; INTERNAL_ID 4161
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid
4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
3-(6-hydroxy-7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
NPE_269.1647_12.5
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1105
C15H24O4_2-(4,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid
C15H24O4_2-[(4aS,7R,8R)-7,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid
4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
1,3-diethyldiphenylurea
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1062
3,6-diphenylcyclohexane-1,2-diol [IIN-based on: CCMSLIB00000845865]
3,6-diphenylcyclohexane-1,2-diol [IIN-based: Match]
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based: Match]
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based on: CCMSLIB00000846465]
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid_major
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid_minor
Corey PG-lactone diol
His-ile
C12H20N4O3 (268.15353300000004)
His-leu
C12H20N4O3 (268.15353300000004)
A dipeptide formed from L-histidine and L-leucine residues.
Ile-his
C12H20N4O3 (268.15353300000004)
A dipeptide composed of L-isoleucine and L-histidine joined by a peptide linkage.
Leu-his
C12H20N4O3 (268.15353300000004)
A dipeptide formed from L-leucine and L-histidine residues.
4,11,13,15-Tetrahydroridentin B
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one
Bisacurone epoxide
Ustusol A
1-Propene,3,3,3,3-[1,3-propanediylidenetetrakis(oxy)]tetrakis- (9CI)
Phosphonic acid,P-(3,3-diethoxypropyl)-, diethyl ester
TRANS-2,3-DIFLUORO-1-METHOXY-4-(4-PROPYL-CYCLOHEXYL)-BENZENE
1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
4-(TERT-BUTYL)-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
1,3-bis(3-cyanopropyl)tetramethyldisiloxane
C12H24N2OSi2 (268.14270939999994)
Deanol acetamidobenzoate
C13H20N2O4 (268.14230000000003)
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
tert-butyl N-[(5,6-dimethoxypyridin-2-yl)methyl]carbamate
C13H20N2O4 (268.14230000000003)
2-METHYLIDENE-1,4-DIMORPHOLINOBUTANE-1,4-DIONE
C13H20N2O4 (268.14230000000003)
4-(1,1-Difluoroethyl)phenylboronic Acid Pinacol Ester
tert-butyl 1,3-dioxo-2,7-diazaspiro[4.5]decane-7-carboxylate
C13H20N2O4 (268.14230000000003)
TERT-BUTOXYCARBONYLAMINO-(4-TERT-BUTOXYCARBONYLAMINO-PHENYL)-ACETICACID
1-[4-(3-METHYL-4-ISOPROPYL-PHENOXY)-PHENYL]-ETHANONE
6,10,16,19-tetraoxatrispiro[4.2.2.411.28.25]nonadecane
diethyl 1-amino-3-isopropyl-1H-pyrrole-2,4-dicarboxylate
C13H20N2O4 (268.14230000000003)
(4-Pentyl-4-biphenylyl)boronic acid
C17H21BO2 (268.16345160000003)
2-Methylnaphthalene-1-boronic Acid Pinacol Ester
C17H21BO2 (268.16345160000003)
2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(19),15,17-triene
ethyl prop-2-enoate,N-(hydroxymethyl)-2-methylprop-2-enamide,prop-2-enenitrile
C13H20N2O4 (268.14230000000003)
4-[(4-ethoxyphenyl)iminomethyl]-N,N-dimethylaniline
1-(2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
4,4,5,5-Tetramethyl-2-(naphthalen-1-ylmethyl)-1,3,2-dioxaborolane
C17H21BO2 (268.16345160000003)
4,4,5,5-Tetramethyl-2-(naphthalen-2-ylmethyl)-1,3,2-dioxaborolane
C17H21BO2 (268.16345160000003)
4-[(2S)-2-Methylbutyl]-[1,1-biphenyl]-4-carboxylic acid
4-Acetylamino-2-(bis(2-hydroxyethyl)amino)anisole
C13H20N2O4 (268.14230000000003)
1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
C13H20N2O4 (268.14230000000003)
7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-, (1R,4S)-rel-
C13H20N2O4 (268.14230000000003)
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Ornithine phenylacetate
C13H20N2O4 (268.14230000000003)
C78275 - Agent Affecting Blood or Body Fluid
N-Methyl-N-[3-phenyl-3-(2-pyridinyl)propyl]acetamide
2-(7,8-Dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
4,7-Dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid
C12H20N4O3 (268.15353300000004)
(2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
C12H20N4O3 (268.15353300000004)
2-[(2R,3R,4aR)-3,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
(2R)-2-[(1S,4R,4aS)-7-hydroperoxy-4,7-dimethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoic acid
(3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S,3S)-2-amino-3-methylpentanoate
C12H20N4O3 (268.15353300000004)
Dihydroxy Melphatalan-d8
C13H20N2O4 (268.14230000000003)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
N-butylharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a butyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamide
(2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
3-(6-hydroxy-7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
(9R,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
3-(Ethoxycarbonyl)-6-isopropyloctahydro-2H-cyclohepta[b]furan-2-one
His-Leu zwitterion
C12H20N4O3 (268.15353300000004)
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Leu. Major species at pH 7.3.
3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
(4r,4as,7s,8as)-4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
2-(1,8-dihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl)prop-2-enoic acid
(1s,2r,4r,6s,8r)-2,10,10-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undecane-1,4,6,8-tetrol
2-(7,8-dihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl)prop-2-enoic acid
(2as,3s,4as,5r,7ar,7br)-7a-(hydroxymethyl)-2,2,4a-trimethyl-1h,3h,4h,5h,7bh-cyclobuta[e]indene-2a,3,5-triol
7-hydroxy-5-(hydroxymethyl)-11-isopropyl-6-methyl-9-oxatricyclo[6.2.1.0²,⁶]undecan-10-one
(1r,7r,8r,11r)-3,3,7,11-tetramethyl-12-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,8,11-triol
(4ar,5s,6r,8ar)-5,6-dihydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-4a,6,7,8-tetrahydro-1h-naphthalen-2-one
4'-(hydroxymethyl)-1',4'-dimethyl-10'-oxaspiro[cyclopropane-1,11'-tricyclo[6.2.1.0²,⁶]undecane]-7',8'-diol
(4as,5s,6r,8ar)-5,6-dihydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-4a,6,7,8-tetrahydro-1h-naphthalen-2-one
2,10,10-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undecane-1,4,6,8-tetrol
(3r,3as,5ar,6r,9r,9as,9bs)-6,9-dihydroxy-3,5a,9-trimethyl-octahydro-3h-naphtho[1,2-b]furan-2-one
(2as,3s,4as,5s,7as,7br)-7a-(hydroxymethyl)-2,2,4a-trimethyl-1h,3h,4h,5h,7bh-cyclobuta[e]indene-2a,3,5-triol
2-[(2r,4as,7r,8r,8ar)-7,8-dihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoic acid
6,9-dihydroxy-3,5,9-trimethyl-decahydronaphtho[1,2-b]furan-2-one
(1r,2s,3r,6s,7s,8r)-8-(2-hydroxyethyl)-2,3,6,7-tetramethyl-10,11-dioxatricyclo[6.2.1.0²,⁶]undecan-9-one
2-hydroperoxy-10-hydroxy-2,6,10-trimethyldodeca-3,6,11-trien-5-one
6-hydroperoxy-10-hydroxy-2,6,10-trimethyldodeca-2,7,11-trien-4-one
1-[(2r,3as,6r,7s,7ar)-6,7-dihydroxy-6-methyl-3-methylidene-hexahydro-1-benzofuran-2-yl]-3-methylbutan-1-one
10-hydroxy-4,4,8-trimethyl-1h,2h,3h-cyclohepta[a]naphthalen-9-one
(4r,4as,6r,8as)-4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
2-{[(2s)-2-(pyridin-3-yl)piperidin-1-yl]methyl}phenol
(1r,1as,4s,4ar,6r,7r,7as,7br)-4,6-dihydroxy-1-(hydroxymethyl)-1,4,7-trimethyl-octahydrocyclopropa[e]azulen-3-one
5,6-dihydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-4a,6,7,8-tetrahydro-1h-naphthalen-2-one
2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-hexahydrocyclobuta[e]inden-4-one
6,8-dihydroxy-7-(2-hydroxypropan-2-yl)-3,10-dimethylspiro[4.5]dec-3-en-2-one
(4r,5s)-5-[(2r,4e)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-4-hydroxy-2-methylcyclohex-2-en-1-one
(3r,3as,5ar,8r,9r,9ar,9br)-8,9-dihydroxy-3,5a,9-trimethyl-octahydro-3h-naphtho[1,2-b]furan-2-one
(3r,6r,6as,9s,10r,10as)-9,10-dihydroxy-3,6,9-trimethyl-octahydro-3h-naphtho[4a,4-b]furan-2-one
2-[(2r,4ar,8r,8as)-8,8a-dihydroxy-4a,8-dimethyl-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid
4-[4-(4-hydroxyphenyl)-2,3-dimethylbut-1-en-1-yl]phenol
2,8-dihydroxy-3a,6-dimethyl-4-(2-methylprop-1-en-1-yl)-hexahydro-2h-cyclohepta[b]furan-5-one
(3s,4r,5r,7r)-7-[(1s,4r)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
(11s)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.0³,⁸]pentadeca-1,3(8),4,6,14-pentaen-9-one
(1r,5s,5as,9as,9bs)-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-1,5,9b-triol
5-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-3-methylpenta-2,4-dienoic acid
(4s,6s)-6-[(2r)-6-hydroperoxy-6-methylhept-4-en-2-yl]-4-hydroxy-3-methylcyclohex-2-en-1-one
(2s,7r)-11-methoxy-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),3,9,12,14-pentaene
7a-(hydroxymethyl)-2,2,4a-trimethyl-1h,3h,4h,5h,7bh-cyclobuta[e]indene-2a,3,5-triol
(1r,2s,4r,5r,8s,10r,14s)-5-(hydroxymethyl)-1,14-dimethyl-3,7-dioxatetracyclo[8.4.0.0²,⁴.0⁴,⁸]tetradecan-5-ol
2-[(2r,4as,7r,8s,8ar)-7,8-dihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoic acid
(3r,4r,5s,6s)-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
4,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-1-one
4-hydroxy-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-hexahydronaphtho[2,3-b]oxiren-2-one
2-[(2r,4ar,8r,8ar)-8,8a-dihydroxy-4a,8-dimethyl-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid
(1s,2r,3r,5r,8s)-3-hydroxy-8-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-2-methyltricyclo[4.4.0.0²,⁸]decan-7-one
(3s,3as,5ar,6r,9s,9as,9bs)-6-hydroxy-9-(hydroxymethyl)-3,5a-dimethyl-decahydronaphtho[1,2-b]furan-2-one
2-isopropyl-5,8-dimethyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-9-ene-8-peroxol
1,4-dimethyl (2z)-2-methyl-3-[(1e)-oct-1-en-1-yl]but-2-enedioate
(1r,2r,5r,7s,8r)-2-isopropyl-5,8-dimethyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-9-ene-8-peroxol
(5r,6r,7r,9s,10s)-6,9-dihydroxy-7-(2-hydroxypropan-2-yl)-3,10-dimethylspiro[4.5]dec-3-en-2-one
(3r,3as,5ar,6r,9s,9as,9bs)-6,9-dihydroxy-3,5a,9-trimethyl-octahydro-3h-naphtho[1,2-b]furan-2-one
(3r,3as,6r,6as,9r,10r,10as)-9,10-dihydroxy-3,6,9-trimethyl-octahydro-3h-naphtho[4a,4-b]furan-2-one
1-(4-hydroxy-3-methoxyphenyl)-3,5-octane-diol
{"Ingredient_id": "HBIN001481","Ingredient_name": "1-(4-hydroxy-3-methoxyphenyl)-3,5-octane-diol","Alias": "1-(4-hydroxy-3-methoxyphenyl)octane-3,5-diol; AC1NSWME","Ingredient_formula": "C15H24O4","Ingredient_Smile": "CCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15882","TCMID_id": "10447","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1α,4α-dihydroxyeudesman-5α,6β,7α,11βh-12,6-olide
{"Ingredient_id": "HBIN002294","Ingredient_name": "1\u03b1,4\u03b1-dihydroxyeudesman-5\u03b1,6\u03b2,7\u03b1,11\u03b2h-12,6-olide","Alias": "NA","Ingredient_formula": "C15H24O4","Ingredient_Smile": "CC1C2CCC3(C(CCC(C3C2OC1=O)(C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5890","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-oxo-2β-[3-butanone]-3α-methyl-6β-[2-propanol formyl ester]-cyclohexane
{"Ingredient_id": "HBIN002942","Ingredient_name": "1-oxo-2\u03b2-[3-butanone]-3\u03b1-methyl-6\u03b2-[2-propanol formyl ester]-cyclohexane","Alias": "NA","Ingredient_formula": "C15H24O4","Ingredient_Smile": "CC1CCC(C(=O)C1CCC(=O)C)C(C)COC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16287","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α-hydroxyilicicacid
{"Ingredient_id": "HBIN007953","Ingredient_name": "3\u03b1-hydroxyilicicacid","Alias": "NA","Ingredient_formula": "C15H24O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10223","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-oxo-11,12,13-trihydroxy-eudesm-4-ene
{"Ingredient_id": "HBIN009393","Ingredient_name": "3-oxo-11,12,13-trihydroxy-eudesm-4-ene","Alias": "NA","Ingredient_formula": "C15H24O4","Ingredient_Smile": "CC1=C2CC(CCC2(CCC1=O)C)C(CO)(CO)O","Ingredient_weight": "268.35 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16421","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5320341","DrugBank_id": "NA"}
4α,5α-epoxy-6α-hydroxy amorphan-12-oicacid
{"Ingredient_id": "HBIN010187","Ingredient_name": "4\u03b1,5\u03b1-epoxy-6\u03b1-hydroxy amorphan-12-oicacid","Alias": "NA","Ingredient_formula": "C15H24O4","Ingredient_Smile": "CC1CCC(C2(C1CCC3(C2O3)C)O)C(C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7107","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5β-hydroxyilicicacid
{"Ingredient_id": "HBIN011476","Ingredient_name": "5\u03b2-hydroxyilicicacid","Alias": "NA","Ingredient_formula": "C15H24O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10224","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-[(1s,4r,4as,6s,8as)-6,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,6-hexahydro-1h-naphthalen-1-yl]propanoic acid
(4s,6s)-6-[(2r,5r)-5-hydroperoxy-6-methylhept-6-en-2-yl]-4-hydroxy-3-methylcyclohex-2-en-1-one
(5s,6r,7r,10r)-7-(1,2-dihydroxypropan-2-yl)-6-hydroxy-3,10-dimethylspiro[4.5]dec-3-en-2-one
(6s)-6-[(2r,5r,6s)-4,5-dihydroxy-5-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]-2-methylhept-2-en-4-one
5-(hydroxymethyl)-5-(3-isopropyl-6-oxohept-1-en-1-yl)oxolan-2-one
(3s,3as,5r,6r,8ar)-5-hydroxy-7-[(3s)-3-hydroxybutyl]-3,6-dimethyl-3h,3ah,4h,5h,6h,8ah-cyclohepta[b]furan-2-one
(1ar,2ar,4s,6ar,7s,7ar)-4-hydroxy-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-hexahydronaphtho[2,3-b]oxiren-2-one
(2s)-2-{[(2s,3s)-2-amino-1-hydroxy-3-methylpentylidene]amino}-3-(3h-imidazol-4-yl)propanoic acid
C12H20N4O3 (268.15353300000004)
(3r,3as,5ar,6r,9s,9as,9bs)-6-hydroxy-9-(hydroxymethyl)-3,5a-dimethyl-decahydronaphtho[1,2-b]furan-2-one
2-[(2r,4ar,5r,8r,8ar)-5,8-dihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoic acid
(1s,2r,5r,8r)-5-methyl-2-pentyl-3,11-dioxabicyclo[6.2.1]undecane-4,6-dione
2-[(1r,2s,6s,8r)-2,6-dimethyl-9,10-dioxatricyclo[6.2.2.0¹,⁶]dodec-11-en-12-yl]propane-2-peroxol
1-(3-hydroxyprop-1-en-2-yl)-4,7-dimethyl-3,4,4a,5,8,8a-hexahydro-2h-naphthalene-1,2,8-triol
5-hydroxy-4a-(hydroxymethyl)-3,8-dimethyl-decahydroazuleno[6,5-b]furan-2-one
(3s,5r,7s,7ar)-7,7a-dihydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,5,6,7-tetrahydroindene-4-carbaldehyde
1-(2,5-dihydroxy-2,6-dimethyl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl)-3-hydroxypropan-1-one
6-(6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-3-methylcyclohex-2-en-1-one
(2r,4e)-2-[(2s,5r)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroperoxy-6-methylhept-4-en-3-one
9,10-dihydroxy-3,6,9-trimethyl-octahydro-3h-naphtho[4a,4-b]furan-2-one
(4s,5ar,7r,9s,9ar,9bs)-3-(hydroxymethyl)-9,9a-dimethyl-2h,4h,5h,5ah,6h,7h,8h,9h,9bh-naphtho[1,2-b]furan-4,7-diol
(1as,3r,4r,4ar,8ar)-3-hydroxy-3,4a,8,8-tetramethyl-hexahydronaphtho[1,8a-b]oxirene-4-carboxylic acid
5-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-4-hydroxy-2-methylcyclohex-2-en-1-one
(1ar,2s,3r,3as,7s,7ar,7bs)-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-octahydronaphtho[1,2-b]oxirene-2,3-diol
(1ar,2as,4s,6ar,7s,7ar)-4-hydroxy-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-hexahydronaphtho[2,3-b]oxiren-2-one
1,4a-dimethyl-7-(1,2,3-trihydroxypropan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
6,8,8-trimethyl-1h,3h,3ah,4h,5h,6h,6ah,7h,9h-azuleno[4,5-c]furan-3,4,7-triol
(2s)-2-[(1s,4s,4as,6r,8as)-4,6-dihydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]propanoic acid
8-(hydroxymethyl)-4,11,11-trimethylbicyclo[7.2.0]undeca-5,7-diene-1,2,4-triol
(1s,4as,6s,8ar)-1,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1h-naphthalen-2-one
(1s,2s,4s,4ar,7as,7br)-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4h,4ah,5h,7h,7ah-cyclobuta[e]indene-1,2,4-triol
2-(5,8-dihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl)prop-2-enoic acid
(1r,1as,4s,4ar,7s,7as,7br)-4-hydroxy-1,7-bis(hydroxymethyl)-1,4-dimethyl-octahydrocyclopropa[e]azulen-3-one
4-(3-hydroxybutyl)-5-(hydroxymethyl)-10-methylidene-8-oxatricyclo[5.3.0.0³,⁵]decan-9-ol
(2s,4s,4ar,6r,7as,7br)-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1h,2h,4h,4ah,5h,7h,7ah-cyclobuta[e]indene-2,4-diol
2-{7a-hydroxy-1a,4-dimethyl-octahydronaphtho[1,2-b]oxiren-7-yl}propanoic acid
11-methoxy-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),3,9,12,14-pentaene
7-hydroperoxy-10-hydroxy-2,10-dimethyl-6-methylidenedodeca-2,11-dien-4-one
(3s,5r,6e)-9-(furan-3-yl)-2,6-dimethylnon-6-ene-2,3,5-triol
2-hydroxy-5-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-octahydronaphtho[1,2-b]oxirene-2,3-diol
(6s)-6-[(2s,4e)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-3-methylcyclohex-2-en-1-one
(4e)-2-(5-ethenyl-5-methyloxolan-2-yl)-6-hydroperoxy-6-methylhept-4-en-3-one
6,9-dihydroxy-3,5a,9-trimethyl-octahydro-3h-naphtho[1,2-b]furan-2-one
(2r)-2-[(1ar,3as,4r,7s,7ar,7bs)-7a-hydroxy-1a,4-dimethyl-octahydronaphtho[1,2-b]oxiren-7-yl]propanoic acid
4-methoxy-5-(3-methylbut-2-en-1-yl)-[1,1'-biphenyl]-3-ol
1-(3-hydroxy-8,8-dimethyl-6,7-dihydro-5h-phenanthren-2-yl)ethanone
3,6-bis(hydroxymethyl)-6,7b-dimethyl-1h,2h,4h,4ah,5h,7h,7ah-cyclobuta[e]indene-2,4-diol
(3s,3as,5ar,6r,9r,9as,9bs)-6,9-dihydroxy-3,5a,9-trimethyl-octahydro-3h-naphtho[1,2-b]furan-2-one
5,5,9-trimethyl-2-methylidene-12-oxatricyclo[7.3.0.0³,⁶]dodecane-1,7,8-triol
(1r,5r,5as,9as,9bs)-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-1,5,9b-triol
(3e,5e)-trideca-3,5-dien-7,9,11-triyn-1-yl 3-methylbutanoate
6-(5-hydroperoxy-2-hydroxy-6-methylhept-6-en-2-yl)-3-methylcyclohex-2-en-1-one
(1s,2r,3r,6s,7r,8s)-10-isopropyl-3,7-dimethyl-11,12-dioxatricyclo[5.3.2.0²,⁶]dodec-9-ene-8-peroxol
(2as,2br,5r,6r,6as,7s,7as)-5,6a,7-trihydroxy-1,1,2b,6-tetramethyl-hexahydro-2h-cyclobuta[a]inden-3-one
3,4-dihydroxy-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylidenecyclohexan-1-one
5a,8,8-trimethyl-1h,3h,3ah,4h,5h,6h,7h,9h-naphtho[1,2-c]furan-3,5,6-triol
(3s,3ar,4ar,5r,7ar,8r,9ar)-5,8-dihydroxy-3,5,8-trimethyl-octahydro-3h-azuleno[6,5-b]furan-2-one
(6s)-6-[(1s,2r,4s,5r,6s)-4,5-dihydroxy-5-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]-2-methylhept-2-en-4-one
3,6-bis(hydroxymethyl)-6,7b-dimethyl-1h,2h,2ah,4ah,5h,7h,7ah-cyclobuta[e]indene-1,2-diol
1-[(1r,2r,4ar,6s,8as)-2-hydroxy-6-(hydroxymethyl)-2-methyl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-3-hydroxypropan-1-one
(1s,2r,3r,5r,6s,8s)-3-hydroxy-8-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-2-methyltricyclo[4.4.0.0²,⁸]decan-7-one
5-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)-3-methylpenta-2,4-dienoic acid
(2s,3ar,4s,6r,8s,8ar)-2,8-dihydroxy-3a,6-dimethyl-4-(2-methylprop-1-en-1-yl)-hexahydro-2h-cyclohepta[b]furan-5-one
6,8-dihydroxy-3,5a,9-trimethyl-decahydronaphtho[1,2-b]furan-2-one
1-[(1r,2s,4ar,5r,6s,8as)-2,5-dihydroxy-2,6-dimethyl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-3-hydroxypropan-1-one
5-(6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-2-methylcyclohex-2-en-1-one
methyl (4s)-4-{[(1z,2s)-2-hydroxy-2-methyl-5-oxocyclopentylidene]methyl}-5-methylhexanoate
methyl 2-[(2r,4as,7r,8s,8ar)-7,8-dihydroxy-4a-methyl-octahydro-1h-naphthalen-2-yl]prop-2-enoate
2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodec-8(12)-ene-3,7,11-triol
1-[1,3-dihydroxy-8-(hydroxymethyl)-4,4-dimethylspiro[4.5]dec-7-en-1-yl]ethanone
4a,8-dihydroxy-3,5,8a-trimethyl-octahydro-3h-naphtho[2,3-b]furan-2-one
(1r,3s,3as,4s,8as)-3,4-dihydroxy-4-(hydroxymethyl)-7-isopropyl-1-methyl-1,2,3,3a,5,8a-hexahydroazulen-6-one
(5e,8r,9s,10s)-8,10-dihydroxy-6-(hydroxymethyl)-9-isopropyl-2-methylidenecyclodec-5-en-1-one
(2z,4s,7r,8r)-4,7,8-trihydroxy-3,7-dimethyl-10-(propan-2-ylidene)cyclodec-2-en-1-one
6,9-dihydroxy-7-(2-hydroxypropan-2-yl)-3,10-dimethylspiro[4.5]dec-3-en-2-one
(1r)-4-oxo-1-[(1s)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl formate
(1s,2s,4s,5z,7z,9r)-8-(hydroxymethyl)-4,11,11-trimethylbicyclo[7.2.0]undeca-5,7-diene-1,2,4-triol
(4r,5s)-5-[(2r,5r)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-4-hydroxy-2-methylcyclohex-2-en-1-one
(3r,3as,7r,7as)-3,7-dihydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3,3a,7a-tetrahydroinden-4-one
4,6-dihydroxy-1-(hydroxymethyl)-1,4,7-trimethyl-octahydrocyclopropa[e]azulen-3-one
(2r)-2-[(1r,2r,3s,4r)-2-formyl-4-methyl-3-(3-oxobutyl)cyclohexyl]propanoic acid
(4as,7r)-1,4a-dimethyl-7-(1,2,3-trihydroxypropan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
(1s,2s,5s,6s,7r,8r,9s)-6,7-dihydroxy-1,4,4,8-tetramethyl-11-oxatricyclo[7.3.0.0²,⁵]dodecan-12-one
4-hydroxy-5-(hydroxymethyl)-8-isopropyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
(3e,6e,10s)-2-hydroperoxy-10-hydroxy-2,6,10-trimethyldodeca-3,6,11-trien-5-one
2-(6,8-dihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl)prop-2-enoic acid
(1s,3ar,8as)-1-[(2s)-1,2-dihydroxypropan-2-yl]-3a-methyl-2,3,4,7,8,8a-hexahydro-1h-azulene-6-carboxylic acid
(3s,3as,5ar,6s,9r,9as,9bs)-6,9-dihydroxy-3,5a,9-trimethyl-octahydro-3h-naphtho[1,2-b]furan-2-one
(2z,4r,7s,8r)-4,7,8-trihydroxy-3,7-dimethyl-10-(propan-2-ylidene)cyclodec-2-en-1-one
(4s,4as,8as)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-one
(4s,4ar,5s,7r,8ar,9as)-3-(hydroxymethyl)-4a,5-dimethyl-2h,4h,5h,6h,7h,8h,8ah,9h,9ah-naphtho[2,3-b]furan-4,7-diol
(2ar,3r,4as,7ar,7br)-2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-hexahydrocyclobuta[e]inden-4-one
(2z,4e)-5-[(1s,3s,4r,6r)-3,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid
(1s,2r,3r,6r,8r,9r,10s)-1,11,11-trimethyl-4,7-dioxatetracyclo[8.4.0.0²,⁶.0⁶,⁸]tetradecane-3,9-diol
4a-hydroperoxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1h-naphthalen-2-one
5-hydroxy-7-(3-hydroxybutyl)-3,6-dimethyl-3h,3ah,4h,5h,6h,8ah-cyclohepta[b]furan-2-one
2-(1-hydroxy-5-methylhexyl)-6-methoxy-3,5-dimethylpyran-4-one
(2s,3s)-2,3-dimethyl-4-(3,4,5-trimethoxyphenyl)butan-1-ol
7-(2-hydroxy-1,4-dimethylcyclohex-3-en-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
(4r,4as,6r,8ar)-4,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-1-one
(1s,2s,4r,5z,7e,9r)-8-(hydroxymethyl)-4,11,11-trimethylbicyclo[7.2.0]undeca-5,7-diene-1,2,4-triol
(3r,3ar,4r,6s,6as,7s)-6,8,8-trimethyl-1h,3h,3ah,4h,5h,6h,6ah,7h,9h-azuleno[4,5-c]furan-3,4,7-triol
(4r,6s,7r)-1-(furan-3-yl)-6,7-dihydroxy-4,8-dimethylnonan-1-one
6,7-dihydroxy-1,4,4,8-tetramethyl-11-oxatricyclo[7.3.0.0²,⁵]dodecan-12-one
(2z,4e)-5-[(1s,3s,4r,6s)-3,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid
2-(5-ethenyl-5-methyloxolan-2-yl)-6-hydroperoxy-6-methylhept-4-en-3-one
(1s,3s,4r,7s,8s,9s,10r)-7,9-dihydroxy-10-isopropyl-3,7-dimethyl-11-oxatricyclo[6.2.1.0⁴,⁹]undecan-6-one
(1r,3ar,5as,9as,9br)-1,3a-dihydroxy-6,6,9a-trimethyl-octahydronaphtho[1,2-c]furan-3-one
(1r,3r,4s,7s,9r,11s)-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodec-8(12)-ene-3,7,11-triol
3a,7-dihydroxy-6,6,9a-trimethyl-octahydronaphtho[1,2-c]furan-1-one
(3r,3ar,5s,5ar,6s)-5a,8,8-trimethyl-1h,3h,3ah,4h,5h,6h,7h,9h-naphtho[1,2-c]furan-3,5,6-triol
1,3a-dihydroxy-6,6,9a-trimethyl-octahydronaphtho[1,2-c]furan-3-one
(3r,3as,5s,5ar,6r,9r,9as,9bs)-6,9-dihydroxy-3,5,9-trimethyl-decahydronaphtho[1,2-b]furan-2-one
1,9,9a-trimethyl-2h,3ah,4h,5h,7h,8h,9h,9bh-naphtho[2,1-b]furan-1,2,7-triol
(2s,4r,4as,8r,8as)-1-(3-hydroxyprop-1-en-2-yl)-4,7-dimethyl-3,4,4a,5,8,8a-hexahydro-2h-naphthalene-1,2,8-triol
(1s,2s,4s,7e,9r)-8-(hydroxymethyl)-4,11,11-trimethylbicyclo[7.2.0]undeca-5,7-diene-1,2,4-triol
4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
7-(1,2-dihydroxypropan-2-yl)-6-hydroxy-3,10-dimethylspiro[4.5]dec-3-en-2-one
5-(hydroxymethyl)-1,14-dimethyl-3,7-dioxatetracyclo[8.4.0.0²,⁴.0⁴,⁸]tetradecan-5-ol
(1s,2r,4s,4ar,7as,7br)-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4h,4ah,5h,7h,7ah-cyclobuta[e]indene-1,2,4-triol
(1s,2r,3s,4s,5r,6r,7s,8r,10r)-3-(hydroxymethyl)-10-[(2s)-1-hydroxypropan-2-yl]-7-methyltetracyclo[4.4.0.0²,⁴.0³,⁷]decane-5,8-diol
(1r,4s,7r,8s,11r)-3,3,7,11-tetramethyl-12-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-4,7,8-triol
8-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
4-[(2e,6s)-6-carboxy-6-methylhex-2-en-2-yl]cyclohexane-1-carboxylic acid
6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-1,5,9b-triol
2-[(1s)-1-hydroxyheptyl]-6-methoxy-3,5-dimethylpyran-4-one
(2r,3s,5r,7s,7ar)-2,7-dihydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydro-2h-indene-4-carbaldehyde
(2e,6e)-3,7,11-trimethyldodeca-2,6-dienedioic acid
2-[4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]propyl formate
(2's,4's,6'r,7's)-4'-(hydroxymethyl)-1',4'-dimethyl-10'-oxaspiro[cyclopropane-1,11'-tricyclo[6.2.1.0²,⁶]undecane]-7',8'-diol
(3s,4s,5s)-1-(furan-3-yl)-4,8-dimethylnon-7-ene-3,4,5-triol
1-(4,5-dihydroxy-2,6-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-hydroxypropan-1-one
6-hydroxy-3-(hydroxymethyl)-7-(2-hydroxypropan-2-yl)-10-methylspiro[4.5]dec-3-en-2-one
2-[4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]propan-2-yl formate
(1s,3ar,4s,8as)-1,4-dihydroxy-4-(hydroxymethyl)-7-isopropyl-1-methyl-3,3a,5,8a-tetrahydro-2h-azulen-6-one
3-[(3s,5s)-3,5-dihydroxyhexanimidoyl]-5-(propan-2-ylidene)pyrrole-2,4-diol
C13H20N2O4 (268.14230000000003)
2-[(1s,2r,4ar,8r,8as)-1,8-dihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoic acid
(6r,7s,8s)-8-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
2-{[(2r)-2-(pyridin-3-yl)piperidin-1-yl]methyl}phenol
(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(3h-imidazol-4-yl)propylidene]amino}-4-methylpentanoic acid
C12H20N4O3 (268.15353300000004)
5-methoxy-4-(3-methylbut-2-en-1-yl)-[1,1'-biphenyl]-3-ol
3-(3,5-dihydroxyhexanimidoyl)-5-(propan-2-ylidene)pyrrole-2,4-diol
C13H20N2O4 (268.14230000000003)
(8s)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(11),2,4,12,14-pentaen-6-one
n-[(3s,9z)-8-hydroxy-10-methyl-2-oxo-1-oxa-7-azacyclododeca-7,9-dien-3-yl]ethanimidic acid
C13H20N2O4 (268.14230000000003)