Exact Mass: 542.3246
Exact Mass Matches: 542.3246
Found 440 metabolites which its exact mass value is equals to given mass value 542.3246
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Belladonnine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BA - Belladonna alkaloids, tertiary amines
Chaetoglobosin N
Chaetoglobosin N is found in cereals and cereal products. Chaetoglobosin N is isolated from Phomopsis leptostromiformis on sweet corn (Zea mays Isolated from Phomopsis leptostromiformis on sweet corn (Zea mays). Chaetoglobosin N is found in cereals and cereal products.
Milbemycin A4
PL
Pl, also known as ddaxhpp-ii, is a member of the class of compounds known as macrolides and analogues. Macrolides and analogues are organic compounds containing a lactone ring of at least twelve members. Pl is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pl can be found in cucumber, which makes pl a potential biomarker for the consumption of this food product. PL, P.L., Pl, or .pl may refer to: .
Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-ethyl-, (6R,25R)-
(3alpha,4alpha,20alpha)-3-(acetyloxy)olean-12-ene-23,29-dioic acid 29-methyl ester|aceriphyllic acid J
(S)-2-((2S,3R,4Z)-1-((S)-2-benzamido-6-guanidinohexanoyl)-4-ethylidene-3-methylpyrrolidine-2-carboxamido)-4-methylpentanoic acid|(S)-2-((2S,3R,Z)-1-((S)-2-benzamido-6-guanidinohexanoyl)-4-ethylidene-3-methylpyrrolidine-2-carboxamido)-4-methylpentanoic acid|lucentamycin A
(24S)-3alpha-acetoxy-16,24-anhydro-16,24,25-trihydroxy-2,11,22-trioxocucurbit-5-ene
bufalin 3-suberate|bufalin-3-hemisuberate|Bufalin-3-hydrogen suberate|Korksaeure-mono-(3-bufalyl)-ester
12alpha-(3-acetoxybutanoyloxy)-20,24-dimethyl-24-oxoscalara-16-en-25-al
Malonyl ester-3-Hydroxy-12-ursen-28-oic acid|malonyl ursolic acid hemiester
16-acetoxy-22alpha-hydroxy-29-nor-3,4-seco-24-methylcycloart-4,24(24a)-dien-23-on-3-oic acid|neomacroin
16-acetoxy-6,22alpha-dihydroxy-29-nor-24-methylcycloart-1, 24(24a)-dien-3,23-dion-3,4-lactone|6-hydroxyneomacrolactone
3alpha-acetoxyolean-12-ene-27,28-dioic acid 28-methyl ester
C29H42N4O6_5-Carbamimidamido-2-(4,6-dihydroxy-2,5,5,8a-tetramethyl-6-oxo-3,4,4a,5,6,6,7,8,8,8a-decahydro-2H-spiro[furo[2,3-e]isoindole-2,1-naphthalen]-7(3H)-yl)pentanoic acid
Milbemycin A4
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
N-deacetyllappaconitine
Origin: Plant; Formula(Parent): C30H42N2O7; Bottle Name:Puberanidine; PRIME Parent Name:Puberanidine; PRIME in-house No.:V0310; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
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Chaetoglobosin N
[(4E,6E,12Z,14Z,16E)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] phosphate
(10E,14E,16E)-6-ethyl-21,24-dihydroxy-5,11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2-oxane]-2-one
2-[hydroxy-[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione
2,3-dihydroxypropyl [3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-2-hydroxypropyl] hydrogen phosphate
(2-hydroxy-3-phosphonooxypropyl) (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
2-[hydroxy-[(2R)-2-hydroxy-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-hydroxy-2-[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[2-acetyloxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
novapikromycin(1+)
An organic cation that is the conjugate acid of novapikromycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Histamine H4 receptor antagonist-1
Histamine H4 receptor antagonist-1 is an antagonist of histamine H4 receptor extracted from patent WO2010108059A1 compound 60[1].
(1r,2s,3as,4r,5s,9s,11r,13as)-4,11-bis(acetyloxy)-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
ethyl 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate
(1s,3s,7s,8s,9r,11s,12s,14s,15r,16r)-15-[(2s,3r,6r)-3,7-dihydroxy-6-methyl-5-methylidene-4-oxoheptan-2-yl]-9-hydroxy-7,12,16-trimethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-4-en-14-yl acetate
1,4-bis({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}) (4r)-1-phenyl-3,4-dihydro-2h-naphthalene-1,4-dicarboxylate
(2e)-n-[(3br,6r,7s,9ar,9bs,11as)-6,8-bis(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]-2-methylbut-2-enimidic acid
[3,4,5-trihydroxy-6-({4-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-8-(hydroxymethyl)-3,4,8a-trimethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl}oxy)oxan-2-yl]methyl acetate
6,6''-bis(furan-3-yl)-4,4''-dihydroxy-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-2,2'-thiolane-4',3''-quinolizin]-1'-ium-1'-olate
(1r,4z,6e,9s,11s,12r,13r,14z,16z,19e,21s,23s,24s)-11-hydroxy-24-(hydroxymethyl)-23-[(2z)-5-hydroxypent-2-en-1-yl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.1⁹,¹³]hexacosa-4,6,14,16,19-pentaen-3-one
(1r,5s,7r,9r,11s)-9-benzoyl-11-[(2e,6e)-3,8-dimethylnona-2,6-dien-1-yl]-4,4,8,8-tetramethyltetracyclo[7.3.1.1⁷,¹¹.0¹,⁵]tetradecane-10,12,13-trione
8-acetyl-1-ethyl-7-formyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl 3-(acetyloxy)butanoate
(2e,10e,12e,16z,18e)-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15,17-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
methyl 5-{2-formyl-5,5,8a-trimethyl-6,7-bis[(2-methylbut-2-enoyl)oxy]-1,4,4a,6,7,8-hexahydronaphthalen-1-yl}-3-methyl-4-oxopent-2-enoate
(1s,2s,3s,4s,5r,6s,8s,9s,10r,13r,16r,17s)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl 2-aminobenzoate
1-[3-({2,4-dihydroxy-6-[(12s)-12-hydroxyheptadecyl]phenyl}methyl)-2,4-dihydroxy-5-methylphenyl]ethanone
(3s,3ar,4s,6as,10s,13r,14s,17ar)-4-ethyl-1,13,14-trihydroxy-3-[(1r)-1-(1h-indol-3-yl)ethyl]-5,10,12-trimethyl-3h,3ah,4h,6ah,9h,10h,13h,14h-cyclotrideca[d]isoindol-17-one
(1s,4as,4br,6s,6as,7r,10as,10br,12as)-8-acetyl-1-ethyl-7-formyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl (3s)-3-(acetyloxy)butanoate
methyl 6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate
(2e,4e,6e,8e,10r,11s)-12-{[(1s,3s,7r,8r,8as)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy}-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
(4as,6ar,6br,8ar,10r,12ar,12br,14bs)-10-(acetyloxy)-4a-(methoxycarbonyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-6a-carboxylic acid
[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate
{"Ingredient_id": "HBIN003076","Ingredient_name": "[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate","Alias": "[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetyloxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate; benzoic acid [(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] ester","Ingredient_formula": "C31H42O8","Ingredient_Smile": "NA","Ingredient_weight": "542.66","OB_score": "7.920598515","CAS_id": "90052-87-2","SymMap_id": "SMIT14048","TCMID_id": "NA","TCMSP_id": "MOL013397","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
29-hydroxyDehydropachymic acid
{"Ingredient_id": "HBIN005093","Ingredient_name": "29-hydroxyDehydropachymic acid","Alias": "NA","Ingredient_formula": "C33H50O6","Ingredient_Smile": "CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)CO)OC(=O)C)C)C)C)O)C(=O)O","Ingredient_weight": "542.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35873","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137355885","DrugBank_id": "NA"}
3-hydroxy-12-oleanene-28,30-dioic acid; 3β-form,3-ac,30-me ester
{"Ingredient_id": "HBIN008613","Ingredient_name": "3-hydroxy-12-oleanene-28,30-dioic acid; 3\u03b2-form,3-ac,30-me ester","Alias": "NA","Ingredient_formula": "C33H50O6","Ingredient_Smile": "NA","Ingredient_weight": "542.75","OB_score": "NA","CAS_id": "25488-42-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8103","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-12-ursen-28-oic acid; 3β-form,malonyl ester
{"Ingredient_id": "HBIN008615","Ingredient_name": "3-hydroxy-12-ursen-28-oic acid; 3\u03b2-form,malonyl ester","Alias": "NA","Ingredient_formula": "C33H50O6","Ingredient_Smile": "NA","Ingredient_weight": "542.75","OB_score": "NA","CAS_id": "143070-05-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8102","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxydehydropachymic acid
{"Ingredient_id": "HBIN012428","Ingredient_name": "6-hydroxydehydropachymic acid","Alias": "NA","Ingredient_formula": "C33H50O6","Ingredient_Smile": "NA","Ingredient_weight": "542.75","OB_score": "NA","CAS_id": "176390-67-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7546","PubChem_id": "NA","DrugBank_id": "NA"}
ardisiaquinone d
{"Ingredient_id": "HBIN016668","Ingredient_name": "ardisiaquinone d","Alias": "NA","Ingredient_formula": "C31H42O8","Ingredient_Smile": "CC1=C(C(=O)C(=C(C1=O)O)CCCCCCCC=CCCCCCCCC2=C(C(=O)C=C(C2=O)OC)O)OC","Ingredient_weight": "542.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1632","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10347303","DrugBank_id": "NA"}
bisbakuchiols B
{"Ingredient_id": "HBIN018604","Ingredient_name": "bisbakuchiols B","Alias": "NA","Ingredient_formula": "C36H46O4","Ingredient_Smile": "CC(=CCCC(C)(C=C)C=CC1=CC2=C(C=C1)OC(C(O2)C3=CC(=C(C=C3)O)O)C(C)(CCC=C(C)C)C=C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37905","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}