Exact Mass: 230.1271
Exact Mass Matches: 230.1271
Found 444 metabolites which its exact mass value is equals to given mass value 230.1271,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(-)-dehydrocostus lactone
Dehydrocostus lactone is an organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. It has a role as a metabolite, a trypanocidal drug, an antineoplastic agent, a cyclooxygenase 2 inhibitor, an antimycobacterial drug and an apoptosis inducer. It is a sesquiterpene lactone, a guaiane sesquiterpenoid, an organic heterotricyclic compound and a gamma-lactone. Dehydrocostus lactone is a natural product found in Marshallia obovata, Cirsium carolinianum, and other organisms with data available. See also: Arctium lappa Root (part of). An organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. CONFIDENCE standard compound; ML_ID 36 Dehydrocostus Lactone is a major sesquiterpene lactone isolated from the roots of Saussurea costus. IC50 value: Target: In vitro: Dehydrocostus Lactone promoted apoptosis with increased activation of caspases 8, 9, 7, 3, enhanced PARP cleavage, decreased Bcl-xL expression and increased levels of Bax, Bak, Bok, Bik, Bmf, and t-Bid. We have demonstrated that Dehydrocostus Lactone inhibits cell growth and induce apoptosis in DU145 cells [1]. Dehydrocostus Lactone inhibits NF-kappaB activation by preventing TNF-alpha-induced degradation and phosphorylation of its inhibitory protein I-kappaB alpha in human leukemia HL-60 cells and that dehydrocostus lactone renders HL-60 cells susceptible to TNF-alpha-induced apoptosis by enhancing caspase-8 and caspase-3 activities [2]. Dehydrocostus Lactone inhibited the production of NO in lipopolysaccharide (LPS)-activated RAW 264.7 cells by suppressing inducible nitric oxide synthase enzyme expression. In vivo: Dehydrocostus Lactone decreased the TNF-alpha level in LPS-activated systems in vivo [3]. Dehydrocostus Lactone is a major sesquiterpene lactone isolated from the roots of Saussurea costus. IC50 value: Target: In vitro: Dehydrocostus Lactone promoted apoptosis with increased activation of caspases 8, 9, 7, 3, enhanced PARP cleavage, decreased Bcl-xL expression and increased levels of Bax, Bak, Bok, Bik, Bmf, and t-Bid. We have demonstrated that Dehydrocostus Lactone inhibits cell growth and induce apoptosis in DU145 cells [1]. Dehydrocostus Lactone inhibits NF-kappaB activation by preventing TNF-alpha-induced degradation and phosphorylation of its inhibitory protein I-kappaB alpha in human leukemia HL-60 cells and that dehydrocostus lactone renders HL-60 cells susceptible to TNF-alpha-induced apoptosis by enhancing caspase-8 and caspase-3 activities [2]. Dehydrocostus Lactone inhibited the production of NO in lipopolysaccharide (LPS)-activated RAW 264.7 cells by suppressing inducible nitric oxide synthase enzyme expression. In vivo: Dehydrocostus Lactone decreased the TNF-alpha level in LPS-activated systems in vivo [3].
Lindeneol
Linderenol is a member of benzofurans. Linderene is a natural product found in Lindera chunii and Lindera pulcherrima var. hemsleyana with data available. Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1]. Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1].
Atractylenolide
Atractylenolide I is a natural product found in Solanum lyratum, Atractylodes japonica, and other organisms with data available. Atractylenolide I is a sesquiterpene derived from the rhizome of Atractylodes macrocephala, possesses diverse bioactivities, such as neuroprotective, anti-allergic, anti-inflammatory and anticancer properties. Atractylenolide I reduces protein levels of phosphorylated JAK2 and STAT3 in A375 cells, and acts as a TLR4-antagonizing agent. Atractylenolide I is a sesquiterpene derived from the rhizome of Atractylodes macrocephala, possesses diverse bioactivities, such as neuroprotective, anti-allergic, anti-inflammatory and anticancer properties. Atractylenolide I reduces protein levels of phosphorylated JAK2 and STAT3 in A375 cells, and acts as a TLR4-antagonizing agent.
Furanodienone
Furanodienone is a germacrane sesquiterpenoid. (5E,9E)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one is a natural product found in Curcuma amada, Curcuma aeruginosa, and other organisms with data available. Isofuranodienone is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary) Furanodienone is one of the major bioactive constituents derived from Rhizoma Curcumae. Furanodienone induced apoptosis[1]. Furanodienone is one of the major bioactive constituents derived from Rhizoma Curcumae. Furanodienone induced apoptosis[1].
Curzerenone
Constituent of Curcuma zedoaria (zedoary). Curzerenone is found in turmeric. 5-Epicurzerenone is from Curcuma zedoaria (zedoary Curzerenone is a monoterpenoid. 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, trans- is a natural product found in Prumnopitys andina, Curcuma aeruginosa, and other organisms with data available. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1]. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1].
Eremanthin
Eremanthin belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Eremanthin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Eremanthin can be found in sweet bay, which makes eremanthin a potential biomarker for the consumption of this food product.
(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate
(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate is found in fats and oils. (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate is found in fats and oils and herbs and spices.
8,12-Epoxy-4(15),7,11-eudesmatrien-1-one
8,12-Epoxy-4(15),7,11-eudesmatrien-1-one is found in green vegetables. 8,12-Epoxy-4(15),7,11-eudesmatrien-1-one is a constituent of Smyrnium olusatrum (alexanders). Constituent of Smyrnium olusatrum (alexanders). 8,12-Epoxy-4(15),7,11-eudesmatrien-1-one is found in green vegetables.
Hydroxyprolyl-Valine
Hydroxyprolyl-Valine is a dipeptide composed of hydroxyproline and valine. 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.
Valylhydroxyproline
Valylhydroxyproline is a dipeptide composed of valine and hydroxyproline. 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.
Cyclohexyl cinnamate
Cyclohexyl cinnamate is a flavouring ingredient. Flavouring ingredient
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide
Dehydrocostus lactone
Dehydrocostus lactone, also known as dehydro-alpha-curcumene, belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Dehydrocostus lactone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dehydrocostus lactone can be found in burdock and sweet bay, which makes dehydrocostus lactone a potential biomarker for the consumption of these food products.
Curzerenone C
Curzerenone c is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. Curzerenone c is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Curzerenone c can be found in turmeric, which makes curzerenone c a potential biomarker for the consumption of this food product. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1]. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1].
2-(3-Methyl-2-butenyl)-3,6-dimethylbenzofuran-5-ol
Kauniolide
Kauniolide is a natural product found in Critonia quadrangularis and Kaunia ignorata with data available.
4-Hydroxy-2-isopropyl-4,7-dimethyl-1(4H)-naphthalenone
Herbertenolide
Laurequinone
Isocinariolide
Gazaniolide
1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-2-(3-methyl-2-butenyl)-, (2R,4R)- ; 1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-2-(3-methyl-2-butenyl)-, (2R,4S)-
(4aR-cis)-4a,5,6,7-Tetrahydro-3,4a,5-trimethyl-naphtho[2,3-b]furan-8(4H)-one
Lindestrenolide
1,2,4,15-Tetrahydro-4,5-dihydrosteiractinolide
Isoalantodiene
Alantodiene
13-Deoxyisoonoceriolide
dehydrocostus lactone
Dehydrocostus Lactone is a major sesquiterpene lactone isolated from the roots of Saussurea costus. IC50 value: Target: In vitro: Dehydrocostus Lactone promoted apoptosis with increased activation of caspases 8, 9, 7, 3, enhanced PARP cleavage, decreased Bcl-xL expression and increased levels of Bax, Bak, Bok, Bik, Bmf, and t-Bid. We have demonstrated that Dehydrocostus Lactone inhibits cell growth and induce apoptosis in DU145 cells [1]. Dehydrocostus Lactone inhibits NF-kappaB activation by preventing TNF-alpha-induced degradation and phosphorylation of its inhibitory protein I-kappaB alpha in human leukemia HL-60 cells and that dehydrocostus lactone renders HL-60 cells susceptible to TNF-alpha-induced apoptosis by enhancing caspase-8 and caspase-3 activities [2]. Dehydrocostus Lactone inhibited the production of NO in lipopolysaccharide (LPS)-activated RAW 264.7 cells by suppressing inducible nitric oxide synthase enzyme expression. In vivo: Dehydrocostus Lactone decreased the TNF-alpha level in LPS-activated systems in vivo [3]. Dehydrocostus Lactone is a major sesquiterpene lactone isolated from the roots of Saussurea costus. IC50 value: Target: In vitro: Dehydrocostus Lactone promoted apoptosis with increased activation of caspases 8, 9, 7, 3, enhanced PARP cleavage, decreased Bcl-xL expression and increased levels of Bax, Bak, Bok, Bik, Bmf, and t-Bid. We have demonstrated that Dehydrocostus Lactone inhibits cell growth and induce apoptosis in DU145 cells [1]. Dehydrocostus Lactone inhibits NF-kappaB activation by preventing TNF-alpha-induced degradation and phosphorylation of its inhibitory protein I-kappaB alpha in human leukemia HL-60 cells and that dehydrocostus lactone renders HL-60 cells susceptible to TNF-alpha-induced apoptosis by enhancing caspase-8 and caspase-3 activities [2]. Dehydrocostus Lactone inhibited the production of NO in lipopolysaccharide (LPS)-activated RAW 264.7 cells by suppressing inducible nitric oxide synthase enzyme expression. In vivo: Dehydrocostus Lactone decreased the TNF-alpha level in LPS-activated systems in vivo [3].
Linderene
Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1]. Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1].
Furanodienon
Furanodienone is a germacrane sesquiterpenoid. (5E,9E)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one is a natural product found in Curcuma amada, Curcuma aeruginosa, and other organisms with data available. Furanodienone is one of the major bioactive constituents derived from Rhizoma Curcumae. Furanodienone induced apoptosis[1]. Furanodienone is one of the major bioactive constituents derived from Rhizoma Curcumae. Furanodienone induced apoptosis[1].
4-hydroxy-4,7-dimethyl-2-(propan-2-yl)naphthalen-1(4h)-one
8,10,14-Pentadecatriene-4,6-diyne-3,12-diol|pentadeca-8t,10t,14-triene-4,6-diyne-3,12-diol
1,9-Epoxy-1,3,5,10-bisabolatetraen-12-al|1,9-Epoxy-1,3,5,10-bisabolatetraen-12-ol
3,8-dimethyl-5-isopropyl-2,3-dihydro-1H-azulene-1,6-dione|pernambucone
Tetrahydro-3-methylene-4-(2,6-dimethylbenzyl)-2H-pyran-2-one
(+)-aromadendra-1(10),4-dien-15-al-3-one|3-Oxo-1(10),4-aromadensradien-14-al
1-(1,1-dimethyl-2-propenyl)-4-phenylbutan-2,4-dione|Mysorenone B
(E)-1-(3-methyl-2-butenoyloxy)-2-decen-4,6-diyne|1-Senecionyloxy-deca-2t-en-4,6-diin
(7R)-14(10 ? 1)-abeoeudesma-1,3,5(10),11(13)-tetraen-12-oic acid*dichloromethane
5,8a-dimethyl-3-methylene-3a,7,8,8a,9,9a-hexahydro-3h-naphtho[2,3-b]furan-2-one
7,8-dehydro-alpha-isocedren-14,15-dial|7,8-dehydro-alpha-isocedrene-8,9-dial
(-)-cobactin T|3-hydroxy-N-(1-hydroxy-2-oxo-azepan-3-yl)-butyramide|Cobactin S|Cobactin S, Cobactin H|Cobactin T
(2R*,5S*,1E,3E)-form-Tetrahydro-5-(1,3-undecadiene-5,7-diynyl)-2-furanol,
1,5,8-Trimethyl-6,7,8,9-tetrahydronaphtho[2,1-b]furan-8-ol
Shizukanolide
Shizukanolide is a natural product found in Chloranthus henryi, Chloranthus serratus, and Sarcandra glabra with data available.
Catalponol
Catalponol is a natural product found in Catalpa ovata and Oroxylum indicum with data available.
8,12-Epoxy-4(15),7,11-eudesmatrien-1-one
(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate
(2S,4R)-4-amino-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxy
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid
4-tert-Butyl-1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-one
(3R,4R)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
(2S,4S)-4-Amino-1,2-pyrrolidinedicarboxylic acid 1-(tert-butyl) ester
(2R,4R)-4-Amino-1,2-pyrrolidinedicarboxylic acid 1-(tert-butyl) ester
3-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
(3S,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
2-n-Butyl-1,3-diaza-spiro[4,4]non-1-en-4-one hydrochloride
ethane-1,2-diol,propane-1,2-diol,propane-1,2,3-triol
3-cyano-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine
4-AMINO-1-(TERT-BUTOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID
4-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric acid
Sardomozide
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
4-(tert-Butoxycarbonyl)piperazine-2-carboxylic acid
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
3-(T-BUTOXYCARBONYL)AMINOPYRROLIDINE-3-CARBOXYLIC ACID
4-cyano-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine
(2R,4S)-1-BOC-4-AMINO-PYRROLIDINE-2-CARBOXYLIC ACID
Fipamezole
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthalenyl)cyclopentanone
Atractylenolide I
Atractylenolide I is a sesquiterpene derived from the rhizome of Atractylodes macrocephala, possesses diverse bioactivities, such as neuroprotective, anti-allergic, anti-inflammatory and anticancer properties. Atractylenolide I reduces protein levels of phosphorylated JAK2 and STAT3 in A375 cells, and acts as a TLR4-antagonizing agent. Atractylenolide I is a sesquiterpene derived from the rhizome of Atractylodes macrocephala, possesses diverse bioactivities, such as neuroprotective, anti-allergic, anti-inflammatory and anticancer properties. Atractylenolide I reduces protein levels of phosphorylated JAK2 and STAT3 in A375 cells, and acts as a TLR4-antagonizing agent.
Curzerenone
Curzerenone is a monoterpenoid. 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, trans- is a natural product found in Prumnopitys andina, Curcuma aeruginosa, and other organisms with data available. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1]. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1].
2-[4-(4-Hydroxyphenoxy)phenyl]ethylazanium
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(2E,4E,6E,8E,10E)-2,7,11-Trimethyl-2,4,6,8,10-dodecapentenedial
(4aS,8aS)-3,5,8a-trimethyl-4a,7,8,8a-tetrahydronaphtho[2,3-b]furan-9(4H)-one
3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone
CJ-01
A sesquiterpenoid that is 4,4a,7,8,8a,9-hexahydronaphtho[2,3-b]furan substituted by methyl groups at positions 3, 5 and 8a and an oxo group at position 9 (the 4aS,8aS stereoisomer). It is isolated from the methanol extract of the whole plant of Chloranthus japonicus and acts as a chitin synthase inhibitor. CJ-01 also shows antifungal activity against various human and phytophathogenic fungi.
(4ar,5r,8ar)-3,4a,5-trimethyl-4h,5h,8ah,9h-naphtho[2,3-b]furan-6-one
5a,9-dimethyl-3-methylidene-3ah,4h,5h,8h,9bh-naphtho[1,2-b]furan-2-one
10-methyl-3,6-dimethylidene-3ah,7h,8h,11h,11ah-cyclodeca[b]furan-2-one
(3r,3as,9br)-3,6,9-trimethyl-3h,3ah,4h,5h,9bh-azuleno[4,5-b]furan-2-one
5,8a-dimethyl-3-methylidene-3ah,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
5-methyl-2-(prop-1-en-2-yl)phenyl (2e)-2-methylbut-2-enoate
4-[(2r,5e)-6-methyl-7-oxohept-5-en-2-yl]benzaldehyde
5a,9-dimethyl-3-methylidene-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-2-one
3-(2-hydroxypropan-2-yl)-5,8-dimethylnaphthalen-2-ol
(4ar,5s)-3,4a,5-trimethyl-4h,5h,6h,7h-naphtho[2,3-b]furan-9-one
(6ar,9ar,9bs)-3,6,9-trimethylidene-octahydroazuleno[4,5-b]furan-2-one
(4r)-4-[2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-one
(4as,5r,8ar)-3,5,8a-trimethyl-4h,4ah,5h,9h-naphtho[2,3-b]furan-8-one
3,6-dimethyl-10-methylidene-5h,6h,7h,11h-cyclodeca[b]furan-4-one
2-(3,8-dimethyl-5,6-dihydroazulen-5-yl)propanoic acid
1-hydroxy-5,5-dimethyl-1-phenylhepta-1,6-dien-3-one
5,8,8-trimethyl-3h,4h,7h,9h-azuleno[4,5-c]furan-1-one
(3r,3as,9as,9bs)-3,6-dimethyl-9-methylidene-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
(4ar,5s)-3,4a,5-trimethyl-4h,5h,6h,7h-naphtho[2,3-b]furan-2-one
5-[(2s)-1-hydroxypropan-2-yl]-3,8-dimethylnaphthalen-2-ol
(2's,6r)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentan]-2-one
(8s)-1,5,8-trimethyl-6h,7h,9h-naphtho[2,1-b]furan-8-ol
1,5,8-trimethyl-4h,5h,5ah,6h,9ah-naphtho[2,1-b]furan-7-one
(4ar,5s)-3,4a,5-trimethyl-4h,5h,6h,7h-naphtho[2,3-b]furan-8-one
(1r,3r,7r,9r,10s,12r)-9-methyl-4,13-dimethylidene-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]tridecan-5-one
3,6,9-trimethyl-4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
2,6,12-trimethyl-8-oxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-7-one
10alpha-h-furanoligularenone
{"Ingredient_id": "HBIN000052","Ingredient_name": "10alpha-h-furanoligularenone","Alias": "10\u03b1-h-furanoligularenone","Ingredient_formula": "C15H18O2","Ingredient_Smile": "CC1C(=O)C=CC2C1(CC3=C(C2)OC=C3C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30987;8019","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1(10)E, 4 E)-8,12- epoxy Zimmer-1,7,10,11- four-6-one
{"Ingredient_id": "HBIN000233","Ingredient_name": "1(10)E, 4 E)-8,12- epoxy Zimmer-1,7,10,11- four-6-one","Alias": "NA","Ingredient_formula": "C15H18O2","Ingredient_Smile": "CC1=CC(=O)C2=C(CC(=CCC1)C)OC=C2C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42316","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13-hydroxy-lactara-2,6,8-trien-5-oicacid γ-lactone
{"Ingredient_id": "HBIN001250","Ingredient_name": "13-hydroxy-lactara-2,6,8-trien-5-oicacid \u03b3-lactone","Alias": "NA","Ingredient_formula": "C15H18O2","Ingredient_Smile": "CC1=C2CC(CC2=CC3=C(C1)C(=O)OC3)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10308","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,8-epoxy-1(6),2,4,7,10-bisabolapentaen-4-ol
{"Ingredient_id": "HBIN002126","Ingredient_name": "1,8-epoxy-1(6),2,4,7,10-bisabolapentaen-4-ol","Alias": "NA","Ingredient_formula": "C15H18O2","Ingredient_Smile": "CC1=C(C=C2C(=C(OC2=C1)CC=C(C)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7058","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5R,6R)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one
{"Ingredient_id": "HBIN011903","Ingredient_name": "(5R,6R)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one","Alias": "(5R,6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one; 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, (5R,6R)-rel-; 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, trans-; 20493-56-5; 78964-39-3","Ingredient_formula": "C15H18O2","Ingredient_Smile": "CC1=COC2=C1C(=O)C(C(C2)(C)C=C)C(=C)C","Ingredient_weight": "230.3","OB_score": "57.04925797","CAS_id": "78964-39-3","SymMap_id": "SMIT03402","TCMID_id": "NA","TCMSP_id": "MOL000900","TCM_ID_id": "NA","PubChem_id": "137705001","DrugBank_id": "NA"}
8,9-dehydrothymol 3-o-tiglate
{"Ingredient_id": "HBIN013587","Ingredient_name": "8,9-dehydrothymol 3-o-tiglate","Alias": "NA","Ingredient_formula": "C15H18O2","Ingredient_Smile": "CC=C(C)C(=O)OC1=C(C=CC(=C1)C)C(=C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14960","TCMID_id": "4974","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aoifuranone
{"Ingredient_id": "HBIN016395","Ingredient_name": "aoifuranone","Alias": "NA","Ingredient_formula": "C15H18O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1469","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Atractylenolide Ⅰ
{"Ingredient_id": "HBIN017284","Ingredient_name": "Atractylenolide \u2160","Alias": "NA","Ingredient_formula": "C15H18O2","Ingredient_Smile": "CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34081","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
