Exact Mass: 346.145
Exact Mass Matches: 346.145
Found 500 metabolites which its exact mass value is equals to given mass value 346.145,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cynaropicrin
Constituent of Cynara scolymus (artichoke). Cynaropicrin is found in cardoon, globe artichoke, and root vegetables. Cynaropicrin is found in cardoon. Cynaropicrin is a constituent of Cynara scolymus (artichoke). Cynaropicrin is a sesquiterpene lactone. Cynaropicrin is a natural product found in Pleiotaxis rugosa, Pseudostifftia kingii, and other organisms with data available. See also: Cynara scolymus leaf (part of). D009676 - Noxae > D003603 - Cytotoxins Cynaropicrin is a sesquiterpene lactone which can inhibit tumor necrosis factor (TNF-α) release with IC50s of 8.24 and 3.18 μM for murine and human macrophage cells, respectively. Cynaropicrin also inhibits the increase of cartilage degradation factor (MMP13) and suppresses NF-κB signaling. Cynaropicrin is a sesquiterpene lactone which can inhibit tumor necrosis factor (TNF-α) release with IC50s of 8.24 and 3.18 μM for murine and human macrophage cells, respectively. Cynaropicrin also inhibits the increase of cartilage degradation factor (MMP13) and suppresses NF-κB signaling.
Gibberellin A3
Gibberellic acid, also known as gibberellin A3, GA, or GA3, is a very potent hormone whose natural occurrence in plants controls their development. Since GA regulates growth, applications of very low concentrations can have a profound effect while too much will have the opposite effect. Gibberellic acid is a hormone found in plants. Gibberellic acid is a simple gibberellin promoting the growth and elongation of cells. It affects the decomposition of plants. It also helps plants grow if used in small amounts but eventually, plants grow a tolerance for it. Gibberellic acid stimulates the cells of germinating seeds to produce mRNA molecules that code for hydrolytic enzymes. Gibberellic acid is a white powder. (NTP, 1992) Gibberellin A3 is a C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. It has a role as a plant metabolite and a mouse metabolite. It is a lactone, a gibberellin monocarboxylic acid, an organic heteropentacyclic compound and a C19-gibberellin. It is a conjugate acid of a gibberellin A3(1-). Gibberellic acid is a natural product found in Cocos nucifera, Prunus cerasus, and other organisms with data available. Gibberellins (GAs) are plant hormones that regulate growth and influence various developmental processes, including stem elongation, germination, dormancy, flowering, sex expression, enzyme induction, and leaf and fruit senescence. Gibberellins is found in many foods, some of which are common wheat, potato, sunflower, and common pea. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3262; ORIGINAL_PRECURSOR_SCAN_NO 3260 CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3253; ORIGINAL_PRECURSOR_SCAN_NO 3251 CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3271; ORIGINAL_PRECURSOR_SCAN_NO 3269 CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3249; ORIGINAL_PRECURSOR_SCAN_NO 3246 CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3255; ORIGINAL_PRECURSOR_SCAN_NO 3254 KEIO_ID G074 Gibberellic Acid is named after a fungus Gibberella fujikuroi . Gibberellic Acid regulates processes of plant development and growth, including seed development and germination, stem and root growth, cell division, and flowering time[1]. Gibberellic Acid is named after a fungus Gibberella fujikuroi . Gibberellic Acid regulates processes of plant development and growth, including seed development and germination, stem and root growth, cell division, and flowering time[1].
Strigol
Strigol is found in corn. Strigol is a constituent of the root of Gossypium hirsutum (cotton) Strigolactones are plant hormones that have been implicated in inhibition of shoot branching. Strigolactones are carotenoid-derived and trigger germination of parasitic plant seeds (for example striga from which they gained their name) and stimulate symbiotic mycorrhizal fungi. Strigolactones contain a labile ether bond that is easily hydrolysed in the rhizosphere meaning that there is a large concentration gradient between areas near the root and those further away. Constituent of the root of Gossypium hirsutum (cotton)
Laninamivir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AH - Neuraminidase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Alectrol
Alectrol is found in cowpea. Alectrol is isolated from the roots of Vigna unguiculata (genuine host plant for Alectra species) Strigolactones are plant hormones that have been implicated in inhibition of shoot branching. Strigolactones are carotenoid-derived and trigger germination of parasitic plant seeds (for example striga from which they gained their name) and stimulate symbiotic mycorrhizal fungi. Strigolactones contain a labile ether bond that is easily hydrolysed in the rhizosphere meaning that there is a large concentration gradient between areas near the root and those further away. Isolated from the roots of Vigna unguiculata (genuine host plant for Alectra subspecies)
Junosmarin
Junosmarin is found in citrus. Junosmarin is a constituent of Citrus junos (yuzu). Constituent of Citrus junos (yuzu). Junosmarin is found in citrus.
Diosbulbin G
Diosbulbin G is found in root vegetables. Diosbulbin G is isolated from Dioscorea bulbifera (air potato). Isolated from Dioscorea bulbifera (air potato). Diosbulbin G is found in root vegetables.
Gibberellin A68
Gibberellin A68 (GA68) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A68 is found in apple. Gibberellin A68 is a constituent of apple and pear seeds. Constituent of apple and pear seeds. Gibberellin A68 is found in many foods, some of which are apple, pomes, sunflower, and peach.
Lepidine D
Alkaloid from Lepidium sativum (garden cress). Lepidine D is found in garden cress and brassicas. Lepidine D is found in brassicas. Lepidine D is an alkaloid from Lepidium sativum (garden cress).
Lepidine B
Alkaloid from Lepidium sativum (garden cress). Lepidine B is found in garden cress and brassicas. Lepidine B is found in brassicas. Lepidine B is an alkaloid from Lepidium sativum (garden cress).
Gibberellin A22
Gibberellin A22 (GA22) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A22 is found in pulses. Gibberellin A22 is isolated from immature seeds of Canavalia gladiata (sword bean). Isolated from immature seeds of Canavalia gladiata (sword bean). Gibberellin A22 is found in pulses.
8-Hydroxy-3',4',5',7-tetramethoxyflavan
8-Hydroxy-3,4,5,7-tetramethoxyflavan is found in fruits. 8-Hydroxy-3,4,5,7-tetramethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 8-Hydroxy-3,4,5,7-tetramethoxyflavan is found in fruits.
5'-Hydroxy-3',4',7,8-tetramethoxyflavan
5-Hydroxy-3,4,7,8-tetramethoxyflavan is found in fruits. 5-Hydroxy-3,4,7,8-tetramethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 5-Hydroxy-3,4,7,8-tetramethoxyflavan is found in fruits.
Gibberellin A92
Gibberellin A92 (GA92) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A92 is found in cereals and cereal products. Gibberellin A92 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A92 is found in wheat, cereals and cereal products, and common wheat.
Lepidine F
Alkaloid from the seeds of Lepidium sativum (garden cress). Lepidine F is found in garden cress and brassicas. Lepidine F is found in brassicas. Lepidine F is an alkaloid from the seeds of Lepidium sativum (garden cress).
Lepidine E
Lepidine E is found in brassicas. Lepidine E is an alkaloid from the seeds of Lepidium sativum (garden cress). Alkaloid from the seeds of Lepidium sativum (garden cress). Lepidine E is found in garden cress and brassicas.
Diosbulbin E
Diosbulbin E is found in root vegetables. Diosbulbin E is a constituent of Dioscorea bulbifera (air potato).
Gibberellin A80
Gibberellin A80 (GA80), also known as 11beta-hydroxygibberellin A7, belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A80 is found in apple. Gibberellin A80 is a constituent of Eriobotrya japonica (loquat). Constituent of Eriobotrya japonica (loquat). 11b-Hydroxygibberellin A7 is found in loquat, apple, and fruits.
Gibberellin A94
Gibberellin A94 (GA94) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A94 is found in cereals and cereal products. Gibberellin A94 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A94 is found in wheat, cereals and cereal products, and common wheat.
Gibberellin A126
Gibberellin A126 (GA126) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A126 is found in fruits. Gibberellin A126 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin GA126 is found in fruits and peach.
Gibberellins
Gibberellic acid is a very potent hormone whose natural occurrence in plants controls their development. Since GA regulates growth, applications of very low concentrations can have a profound effect while too much will have the opposite effect. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Isotaxiresinol
Laninamivir
4-Fluoro-1-[2-[(4-methyl-1-methylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile
Gibberellin A6
Gibberellin a6 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a6 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a6 can be found in common bean, green bean, scarlet bean, and yellow wax bean, which makes gibberellin a6 a potential biomarker for the consumption of these food products.
Gibberellin A30
Gibberellin a30 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a30 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a30 can be found in peach and sour cherry, which makes gibberellin a30 a potential biomarker for the consumption of these food products.
gibberellin A29-catabolite
Gibberellin a29-catabolite is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a29-catabolite is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a29-catabolite can be found in a number of food items such as mentha (mint), kiwi, lemon verbena, and persimmon, which makes gibberellin a29-catabolite a potential biomarker for the consumption of these food products.
gibberellin A34-catabolite
Gibberellin a34-catabolite is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a34-catabolite is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a34-catabolite can be found in a number of food items such as daikon radish, poppy, redcurrant, and black mulberry, which makes gibberellin a34-catabolite a potential biomarker for the consumption of these food products.
2,3-Naphthalenedimethanol, 1-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-, stereoisomer (8CI); (1S,2R,3R)-1-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2,3-naphthalenedimethanol
[3aS-(3aalpha,4beta,5beta,6alpha,7alpha,7abeta)]-6-Ethenyl-5-(1-formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid
[3aS-(3aalpha,4beta,5beta,6alpha,7abataethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid
3-Hydroxy-2,4,6,7,8-pentamethoxy-9,10-dihydrophenanthrene
4,15-iso-Atripliciolide isobutyrate|4,15?iso?atriplicolide?8?O?isobutyrate|8-O-isobutyryl-4,15-isoatriplicolide
3beta-hydroxy-8alpha-epoxymethyl acriloiloxy-4(15),10(14),11(13)-trien-(1alphaH),(5alphaH)-guaian-6,12-olide|3beta-hydroxy-8alpha-epoxymethylacryloiloxy-4(15),10(14),11(13)-trien-(1alphaH),(5alphaH)-guaian-6,12-olide
chushizisin A|threo-1-(4-hydroxyphenyl)-2-{4-[(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol
8beta-methacryloyloxy-10alpha-hydroxyguaia-3,11(13)-dien-2-on-6alpha,12-olide
2,5-epoxy-2beta-hydroxy-8alpha-(2-methylpropenoyloxy)-4(15),10(14),11(13)-germacratrien-12,6alpha-olide
(-)-abyssomicin C|(-)-atrop-abyssomicin C|abyssomicin C|atrop-abyssomicin C
9alpha-hydroxy-8beta-methacryloyloxy-14-oxo-acanthospermolide|9alpha-hydroxy-8beta-methacryloyloxy-14-oxoacanthospermolide
7-hydroxy-8-(3-hydroxy-2-senecioyloxyisopentyl) coumarin
(7alpha,8beta)-3-methoxy-4,7-epoxy-8,3-oxyneolignan-4,9,9-triol
4,9,9-Trihydroxy-3-methoxy-3,7-epoxy-4,8-oxyneolignan
(1beta,6alpha,8alpha)-1-hydroxy-8-{[2-(hydroxymethyl)acryloyl]oxy}eudesma-2,4(14),11(13)-trieno-12,6-lactone|loloanolide B|rel-(3aR,4S,5aRS,9aS,9bR)-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphto[1,2-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(4R*,5S*,6S*,7R*,8S*,10R*)-8-(2-Methylpropenoyloxy)-4-hydroxy-1-oxoeudesma-2,7(11)-dien-6,12-olide
Cynaropicrin
Cynaropicrin is a sesquiterpene lactone. Cynaropicrin is a natural product found in Pleiotaxis rugosa, Pseudostifftia kingii, and other organisms with data available. See also: Cynara scolymus leaf (part of). D009676 - Noxae > D003603 - Cytotoxins Cynaropicrin is a sesquiterpene lactone which can inhibit tumor necrosis factor (TNF-α) release with IC50s of 8.24 and 3.18 μM for murine and human macrophage cells, respectively. Cynaropicrin also inhibits the increase of cartilage degradation factor (MMP13) and suppresses NF-κB signaling. Cynaropicrin is a sesquiterpene lactone which can inhibit tumor necrosis factor (TNF-α) release with IC50s of 8.24 and 3.18 μM for murine and human macrophage cells, respectively. Cynaropicrin also inhibits the increase of cartilage degradation factor (MMP13) and suppresses NF-κB signaling.
hyporadiolide-8-O-(2-methylacrylate)|hyporadiolide-8-O-<2-methylacrylate>
7-hydroxy-6-(3-hydroxy-2-senecioyloxyisopentyl) coumarin
3-Hydroxy-4-isovaleryloxy-2,3-dihydrooroselol|9-hydroxy-8-[1-methyl-1-(3-methyl-butyryloxy)-ethyl]-8,9-dihydro-furo[2,3-h]chromen-2-one
2alpha,3beta,8-trihydroxy-7-isoprenyl-6-methoxy-1,2,3,4-tetrahydroxanthone|garcimangosxanthone C
deltoidealactone|rel-(3aS,4S,5E,9Z,11aR)-6-formyl-2,3,3a,4,7,8,11,11a-octahydro-10-methyl-2-oxo-3-methylene-cyclodeca[b]furan-4-yl 2-(hydroxymethyl)acrylate
16-hydroxypodolide|17-hydroxy-3-deoxy-2,3-didehydro-nagilactone E|Salignone H|salignone-H
metasequirin H|rel-(3R,4S,5S)-tetrahydro-5-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-4-(4-hydroxyphenyl)furan-3-ol
5-(7-peroxyl-3,7-dimethyl-5-octaenyloxy)-7-hydroxycoumarin|minutin A
5-(6-peroxyl-3-methylene-2-octaenyloxy)-7-hydroxycoumarin|minutin B
(-)-2-hydroxy-1-[(7-hydroxy-2-oxo-2H-chromen-6-yl)methyl]-2-methylpropyl (2Z)-2-methylbut-2-enoate
3beta-(4-hydroxymethacryloyloxy)-8alpha-hydroxycostunolide|3beta-<4-hydroxymethacryloyloxy>-8alpha-hydroxycostunolide|cynaropicrin
(4betaH)-5alpha-hydroxy-8alpha-(2-methylpropenoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6alpha-olide
eupahakonenin-B|O-(4-Hydroxy-2-methyl-2E-butenoyl)-(1alpha,5alpha,6alpha,8beta)-8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide
(2R,3S,4S)-5,4-dimethoxy-6,8-dimethyl-3,4,7-trihydroxy-flavan|4,5-Di-Me ether-(2R,3S,4S)-3,4,4,5,7-Pentahydroxy-6,8-dimethylflavan
(2R*,3S*,7R*,8S*)-2,3-Epoxy-15-(2-methyl)propanoyloxy-14-oxomelampa-1(10),4,11(13)-trien-8,12-olide
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxy-4,5-methylenedioxyphenyl)-propane
(5S*,7R*,8S*,10S*)-2,3-Epoxy-15-(2-methyl)propanoyloxy-14-oxoelema-1,3,11(13)-trien-8,12-olide
Isotaxiresinol
Isotaxiresinol is a lignan that consists of 1,2,3,4-tetrahydronaphthalene substituted by a hydroxy group at position 7, hydroxymethyl groups at positions 2 and 3, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a lignan, a pentol, a polyphenol and a primary alcohol. Isotaxiresinol is a natural product found in Fitzroya cupressoides, Taxus wallichiana, and other organisms with data available. A lignan that consists of 1,2,3,4-tetrahydronaphthalene substituted by a hydroxy group at position 7, hydroxymethyl groups at positions 2 and 3, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from Taxus yunnanensis.
Gibberellic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.647 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.643 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.642 Gibberellic Acid is named after a fungus Gibberella fujikuroi . Gibberellic Acid regulates processes of plant development and growth, including seed development and germination, stem and root growth, cell division, and flowering time[1]. Gibberellic Acid is named after a fungus Gibberella fujikuroi . Gibberellic Acid regulates processes of plant development and growth, including seed development and germination, stem and root growth, cell division, and flowering time[1].
4-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one
C19H22O6_(1R,2R,4S,5R,8R,9S,10R,11S,12S)-4,12-Dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid
C19H22O6_13,17-Dihydroxy-4-methyl-14-methylene-5-oxo-6-oxapentacyclo[11.2.1.1~4,7~.0~1,10~.0~3,9~]heptadec-8-ene-2-carboxylic acid
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based on: CCMSLIB00000847212]
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based: Match]
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one [IIN-based: Match]
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one [IIN-based on: CCMSLIB00000848731]
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one_major
Ala Ala Ala Asp
Ala Ala Asp Ala
Ala Ala Glu Gly
Ala Asp Ala Ala
Ala Glu Ala Gly
Ala Glu Gly Ala
Ala Gly Glu Ala
Asp Ala Ala Ala
Asp Gly Gly Val
Asp Gly Val Gly
Asp Val Gly Gly
Glu Ala Ala Gly
Glu Ala Gly Ala
Glu Gly Ala Ala
Gly Ala Glu Ala
Gly Asp Gly Val
Gly Asp Val Gly
Gly Glu Ala Ala
Gly Gly Asp Val
Gly Pro Ser Ser
Gly Ser Pro Ser
Gly Ser Ser Pro
Gly Val Asp Gly
Pro Gly Ser Ser
Pro Ser Gly Ser
Pro Ser Ser Gly
Ser Gly Pro Ser
Ser Gly Ser Pro
Ser Pro Gly Ser
Gibberellin A94
Gibberellin A68
A C19-gibberellin, initially identified in Malus sylvestris. It differs from gibberellin A1 in the absence of an OH group at C-7 and the presence of a double bond between C-3 and C-4 (all gibbane numbering).
Diosbulbin E
Diosbulbin G
Gibberellin A22
Gibberellin A80
8-Hydroxy-3',4',5',7-tetramethoxyflavan
5'-Hydroxy-3',4',7,8-tetramethoxyflavan
Gibberellin A92
3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone
1,7-Bis(3,4-dihydroxyphenyl)-6-hydroxy-3-heptanone
benzyl (2S)-2-benzylpiperazine-1-carboxylate,hydrochloride
4-[[2-methoxy-5-methyl-4-(phenylazo)phenyl]azo]phenol
2-Methyl-2-propanyl 4-acetoxy-5,7-dimethoxy-2-naphthoate
2-[4-[4-(3-Pyridinyl)-1H-imidazol-1-yl]butyl]-1H-isoindole-1,3(2H)-dione
Taxiresinol
A lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a 4-hydroxy-3-methoxybenzyl group at position 4. It has been isolated from Taxus yunnanensis.
buta-1,3-diene,(E)-but-2-enedioic acid,prop-2-enoic acid,styrene
1,3-Bis(4-methoxyphenyl)-1,1,3,3-tetramethyldisiloxane
(S)-BENZYL 3-BENZYLPIPERAZINE-1-CARBOXYLATE HYDROCHLORIDE
benzyl (2R)-2-benzylpiperazine-1-carboxylate,hydrochloride
(7S,8S)-methoxy-3,7-epoxy-8,4-oxyneolignan-4,9,9-triol
A neolignan that consists of a 2,3-dihydro-1,4-benzodioxine ring substituted by a hydroxymethyl group at position 3, a 3-hydroxypropyl group at position 7 and a 4-hydroxy-3-methoxyphenyl group at position 2. It has been isolated from Taxus yunnanensis.
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
5-Hydroxy-11-(hydroxymethyl)-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
5,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
15-Hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid
4,5-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid
11-imino-2-phenylhexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4-tricarbonitrile
(1R,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione
(1R,2R,5S,8S,10R,11S,12S)-5,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(1R,2R,7S,9R,14R,16R)-2-hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione
4-Hydroxy-3,7-dimethoxy-2-(3,4-dimethoxyphenyl)chroman
(1R,2R,5S,8S,9R,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
gibberellin A3
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4.
(1r,2r)-1-(4-hydroxyphenyl)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propane-1,3-diol
{1-formyl-6-methylidene-5-oxo-4,12-dioxatricyclo[7.5.0.0³,⁷]tetradeca-10,13-dien-10-yl}methyl 2-methylpropanoate
(4r,4as,5r,8as)-8a-hydroxy-3,4a,5-trimethyl-8,9-dioxo-4h,5h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
(3ar,4s,11ar)-10-methyl-3-methylidene-4-[(2-methylprop-2-enoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylic acid
[4-(acetyloxy)-5,10-dimethyl-2-oxo-4h,8h,9h,11ah-cyclodeca[b]furan-3-yl]methyl acetate
8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methyloxirane-2-carboxylate
(3ar,4s,5r,6s,7s,7ar)-6-ethenyl-4-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-7-yl 2-methylprop-2-enoate
6-ethenyl-4-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-7-yl 2-methylprop-2-enoate
4-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethyl]-2h-1,3-benzodioxole
8-(acetyloxy)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate
(3ar,4r,4ar,6s,7ar,9as)-6-hydroxy-3,5,8-trimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(1s,2r,4r,5s,9s,10r,11s)-4,5-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid
(1s,2r,10r,12r,15r,16s,21r)-16-hydroxy-15-methyl-8,13,17-trioxahexacyclo[14.2.2.1¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²¹]henicos-5(9)-ene-6,14-dione
4-[5-(2-hydroxyethyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
1-[7-methoxy-3-oxo-2-(propan-2-ylidene)-1,4-benzodioxin-6-yl]ethyl 2-methylbut-2-enoate
[4-(acetyloxy)-6,10-dimethyl-2-oxo-4h,5h,9h,11ah-cyclodeca[b]furan-3-yl]methyl acetate
[(4s,11as)-4-(acetyloxy)-5,10-dimethyl-2-oxo-4h,8h,9h,11ah-cyclodeca[b]furan-3-yl]methyl acetate
(3ar,4r,9as,9br)-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2z)-2,4-dihydroxybut-2-enoate
4-[3-(hydroxymethyl)-6-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxyphenol
(1s,2s,4r,7z,10s,11r)-8-formyl-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl 2-methylprop-2-enoate
1-(4-hydroxyphenyl)-2-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]propane-1,3-diol
{1-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
1-(4-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]ethane-1,2-diol
(1s,2s,7r,9r,12s,16s)-4-(furan-3-yl)-14-hydroxy-2-methyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane-6,11-dione
(1r,2r,4ar,5'r,8as)-5'-(5-hydroxy-2-oxo-5h-furan-3-yl)-2,5-dimethyl-2,3,4,4a,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-2',7-dione
(1s,4s,6s,9z,11r,13s,14s,18s)-9,18-dihydroxy-6,13,14-trimethyl-12,16-dioxapentacyclo[8.5.2.1⁴,¹³.0¹,¹¹.0⁴,¹¹]octadeca-2,9-diene-5,17-dione
[(1r,3r,7r,9s)-1-formyl-6-methylidene-5-oxo-4,12-dioxatricyclo[7.5.0.0³,⁷]tetradeca-10,13-dien-10-yl]methyl 2-methylpropanoate
4-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]-3,4,5-trimethoxycyclohexa-2,5-dien-1-one
(3ar,4s,9r,9ar,9bs)-9a-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,8h,9h,9bh-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
(1s,2r,4s,5r,6r,9s,12r,17r)-5-hydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-10,15-diene-7,14-dione
1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-one
(2s,3s)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
6-hydroxy-3,5,8-trimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(1s,3r,7z,12s,13r,15r)-13-hydroxy-3,7,12-trimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione
6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3ah,4h,5h,6h,9ah,9bh-naphtho[1,2-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(2r-trans)-2,3-dihydro-2-(4-hydroxy-3-me-thoxyphenyl)-3-(hydroxymethyl)-7-hydroxy-5-benzofuran-propanol
{"Ingredient_id": "HBIN006556","Ingredient_name": "(2r-trans)-2,3-dihydro-2-(4-hydroxy-3-me-thoxyphenyl)-3-(hydroxymethyl)-7-hydroxy-5-benzofuran-propanol","Alias": "NA","Ingredient_formula": "C19H22O6","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)O)CCCO)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5638","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychroman-3-ol
{"Ingredient_id": "HBIN006620","Ingredient_name": "(2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychroman-3-ol","Alias": "AO-079/15259072; MLS001178744; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chroman-3-ol; ZINC03197613; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-chromanol; SMR000477468","Ingredient_formula": "C19H22O6","Ingredient_Smile": "COC1=C(C=C(C=C1)C2C(CC3=C(O2)C=C(C=C3OC)OC)O)OC","Ingredient_weight": "346.37","OB_score": "51.88717188","CAS_id": "22425-55-4","SymMap_id": "SMIT04762","TCMID_id": "NA","TCMSP_id": "MOL002543","TCM_ID_id": "NA","PubChem_id": "6576809","DrugBank_id": "NA"}
(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5-(3-hydroxypropyl)-3-methylol-2,3-dihydrobenzofuran-7-ol
{"Ingredient_id": "HBIN006624","Ingredient_name": "(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5-(3-hydroxypropyl)-3-methylol-2,3-dihydrobenzofuran-7-ol","Alias": "MEGxp0_001133; (2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol; (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol; ACon1_001168; (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol; (2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol","Ingredient_formula": "C19H22O6","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O","Ingredient_weight": "346.37","OB_score": "7.751897115","CAS_id": "75775-36-9","SymMap_id": "SMIT05384","TCMID_id": "NA","TCMSP_id": "MOL003287","TCM_ID_id": "NA","PubChem_id": "11210164","DrugBank_id": "NA"}
(7s,8r)-dihydro-3'-hydroxy-8-hydroxy-methyl-7-(4-hydroxy-3-methoxyphenyl)-1'-benzofuranpropanol
{"Ingredient_id": "HBIN013474","Ingredient_name": "(7s,8r)-dihydro-3'-hydroxy-8-hydroxy-methyl-7-(4-hydroxy-3-methoxyphenyl)-1'-benzofuranpropanol","Alias": "NA","Ingredient_formula": "C19H22O6","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)O)CCCO)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15074","TCMID_id": "5635","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8α-epoxymethylacrylyloxyambrosin
{"Ingredient_id": "HBIN013624","Ingredient_name": "8\u03b1-epoxymethylacrylyloxyambrosin","Alias": "NA","Ingredient_formula": "C19H22O6","Ingredient_Smile": "CC1CC(C2C(C3(C1C=CC3=O)C)OC(=O)C2=C)OC(=O)C4(CO4)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7169","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
