Exact Mass: 512.2522
Exact Mass Matches: 512.2522
Found 190 metabolites which its exact mass value is equals to given mass value 512.2522
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] is found in fruits. Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] is isolated from Cape gooseberry (Physalis peruviana). Isolated from Cape gooseberry (Physalis peruviana). Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] is found in fruits.
Adosterol (incomplete stereochemistry)
Iodocholesterol
3-[18-(2-Carboxyethyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid
(8S,9S,10R,13R,14S,17R)-3-Iodo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Andrographiside
Andrographoside is a natural product found in Andrographis with data available.
(3S)-3-O-(3,4-diangeloyl-beta-D-glucopyranosyloxy)-6-hydroperoxy-3,7-dimethylocta-1,7-diene|(3S)-3-O-(3,4-Diangeloyl-??-D-glucopyranosyloxy)-6-hydroperoxy-3,7-dimethylocta-1,7-diene
11alpha,15alpha-dihydroxy-7-O-beta-D-glucopyranosyl-ent-kaur-16-en-19-oic acid
1alpha,15alpha-dihydroxy-7-O-beta-D-glucopyranosyl-ent-kaur-16-en-19-oic acid
1-O-(15,17-Dihydroxy-18-oxo-11,16-epoxykauran-18-yl)hexopyranose
1-O-((E)-linalool-1-yl)-6-O-[(R)-oleuropeyl]-beta-D-glucopyranose|froggattiside A
17-O-beta-D-glucopyranoside ent-6,7-epoxy-6-hydroxyl-6,7-secokaur-19-oic, 6,19-lactone 16beta17-diol|Amygdaloside
3beta,7beta,15beta-trihydroxy-14-oxolathyra-5E,12E-dienyl-16-O-beta-D-glucopyranoside
(3S)-3-O-(3,4-diangeloyl-beta-D-glucopyranosyloxy)-7-hydroperoxy-3,7-dimethylocta-1,5-diene
Humuladien-10-yl-(3-Hydroxy-5-oxo-4-phenyl-5H-furan-2-ylidene)-phenylacetic acid-ester
7-benzoylnimbocinol|7-desacetyl-7-benzoylazadiradione
Ser His Asn Arg
C26H40O10_1,6-Bis-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranose
C26H40O10_(1R,2R,4aS,5R,8aS)-1-(Hydroxymethyl)-5-{(2E)-2-[(4S)-4-hydroxy-2-oxodihydro-3(2H)-furanylidene]ethyl}-1,4a-dimethyl-6-methylenedecahydro-2-naphthalenyl beta-D-glucopyranoside
C26H40O10_2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(beta-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)
3,6-dibenzyl-9-[(2,3-diamino-1,2-dihydroindol-3-yl)methyl]-1,4,7-triazonane-2,5,8-trione
(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one_21.3\\%
(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one_major
(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one_10.8\\%
(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one_59.5\\%
His Asn Arg Ser
His Asn Ser Arg
His Arg Asn Ser
His Arg Ser Asn
His Ser Asn Arg
His Ser Arg Asn
Asn His Arg Ser
Asn His Ser Arg
Asn Arg His Ser
Asn Arg Ser His
Asn Ser His Arg
Asn Ser Arg His
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Arg Asn His Ser
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Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]
3-O-(beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl) ethyl 3-hydroxyoctanoate
TMC-1A
A polyene antibiotic that is 2-amino-4,5-dihydroxycyclohex-2-en-1-one in which the hydrogen at position 4 is replaced by a by an all-E-6-carboxyhexa-1,3,5-trien-1-yl group; in which the amino group has been acylated by a (2E)-2,4-dimethyloct-2-enoyl group; and in which the carboxy group of the resulting carboxylic acid has been condensed with the amino group of 2-amino-3-hydroxycyclopent-2-en-1-one to give the corresponding carboxamide. TMC-1A is an antitumour antibiotic isolated from Streptomyces sp. A-230.
TMC-1B
A polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by a (2E)-2,6-dimethyloct-2-enoyl group. TMC-1B is an antitumour antibiotic isolated from Streptomyces sp. A-230.
(5R,5aR,8aR,9S)-9-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one
Iodocholesterol (131I)
V - Various > V09 - Diagnostic radiopharmaceuticals > V09X - Other diagnostic radiopharmaceuticals > V09XA - Iodine (131i) compounds C1446 - Radiopharmaceutical Compound > C129819 - Antineoplastic Radiopharmaceutical Agent C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate C274 - Antineoplastic Agent
Norcholestenol iodomethyl ((sup 131)I)
V - Various > V09 - Diagnostic radiopharmaceuticals > V09X - Other diagnostic radiopharmaceuticals > V09XA - Iodine (131i) compounds
(8S,9S,10R,13R,14S,17R)-3-Iodo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
3-[18-(2-Carboxyethyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid
7-Benzoylnimbocinol
A limonoid that is the benzoate ester of nimbocinol. It has been isolated from Azadirachta indica.
(2R)-2-[(4S,5S)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
(2S)-2-[(4S,5S)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
3-(4-fluorophenyl)-1-[[(2R,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
1-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]-2-(dimethylamino)ethanone
1-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]-2-(dimethylamino)ethanone
2,3,4-tri-O-methyl-alpha-L-fucosyl-(1->3)-alpha-L-rhamnosyl-(1->3)-2-O-methyl-alpha-L-rhamnose
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
Norcholestenol iodomethyl (131 I)
V - Various > V09 - Diagnostic radiopharmaceuticals > V09X - Other diagnostic radiopharmaceuticals > V09XA - Iodine (131i) compounds Same as: D02043
(2E)-N-[(3S,4R)-3,4-dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-6-oxocyclohex-1-en-1-yl]-2,6-dimethyloct-2-enamide
methyl (1s,2e,4r,5s,6r,9s,11r,12r)-1,6-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[(2z)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate
n-(3,4-dihydroxy-3-{6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl}-6-oxocyclohex-1-en-1-yl)-2,6-dimethyloct-2-enimidic acid
6-hydroxy-1,14-dimethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-10,12-dioxapentacyclo[9.6.1.1⁵,⁸.0²,⁸.0¹⁴,¹⁸]nonadecan-13-one
3-[(2s,4r,4ar,6ar,8s,10ar,10bs)-4-hydroxy-7,7,10a-trimethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydro-1h-naphtho[2,1-c]pyran-2-yl]-5h-furan-2-one
(1r,2r,4r,5s,9s,10r,11s,13r,15r)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-2-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(4r)-4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]oxan-2-yl]methyl (4r)-4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate
(3e,4s)-3-{2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexahydro-1h-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one
methyl (1r,2e,4s,5r,6s,9r,11s,12s)-1,6-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[(2e)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate
methyl (1s,2e,4r,5s,6r,9s,11r,12r)-1,6-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[(2e)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate
{3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]oxan-2-yl}methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate
3-o-β-d-glucopyranosyl-(1→6)-β-d-glucopyra-noside of ethyl 3-hydroxyoctanoate
{"Ingredient_id": "HBIN009202","Ingredient_name": "3-o-\u03b2-d-glucopyranosyl-(1\u21926)-\u03b2-d-glucopyra-noside of ethyl 3-hydroxyoctanoate","Alias": "NA","Ingredient_formula": "C22H40O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8636","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s)-3-o-(3',4'-diangeloyl-β-d-glucopyranosyl-oxy)-6-hydroperoxy-3,7-dimethylocta-1,7-di-ene
{"Ingredient_id": "HBIN009619","Ingredient_name": "(3s)-3-o-(3',4'-diangeloyl-\u03b2-d-glucopyranosyl-oxy)-6-hydroperoxy-3,7-dimethylocta-1,7-di-ene","Alias": "NA","Ingredient_formula": "C26H40O10","Ingredient_Smile": "CC=C(C)C(=O)OC1C(OC(C(C1OC(=O)C(=CC)C)O)OC(C)(CCC(C(=C)C)OO)C=C)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5353","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s)-3-o-(3',4'-diangeloyl-β-d-glucopyranosyl-oxy)-7-hydroperoxy-3,7-dimethylocta-1,5-diene
{"Ingredient_id": "HBIN009620","Ingredient_name": "(3s)-3-o-(3',4'-diangeloyl-\u03b2-d-glucopyranosyl-oxy)-7-hydroperoxy-3,7-dimethylocta-1,5-diene","Alias": "NA","Ingredient_formula": "C26H40O10","Ingredient_Smile": "CC=C(C)C(=O)OC1C(OC(C(C1OC(=O)C(=CC)C)O)OC(C)(CC=CC(C)(C)OO)C=C)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5354","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
abamagenin
{"Ingredient_id": "HBIN014214","Ingredient_name": "abamagenin","Alias": "NA","Ingredient_formula": "C28H42Cl2O4","Ingredient_Smile": "CC1COC2(CC1C(Cl)Cl)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)O)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adenostemmmoside a
{"Ingredient_id": "HBIN014696","Ingredient_name": "adenostemmmoside a","Alias": "NA","Ingredient_formula": "C26H40O10","Ingredient_Smile": "CC12CCCC(C1CCC34C2C5CC(C3)C(C4O)(O5)CO)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23672","TCMSP_id": "NA","TCM_ID_id": "7161","PubChem_id": "NA","DrugBank_id": "NA"}
adenostemmmoside f
{"Ingredient_id": "HBIN014701","Ingredient_name": "adenostemmmoside f","Alias": "NA","Ingredient_formula": "C26H40O10","Ingredient_Smile": "CC1(CCCC2(C1CCC34C2(C5CC(C3)C(C4O)(O5)C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23670","TCMSP_id": "NA","TCM_ID_id": "7156","PubChem_id": "NA","DrugBank_id": "NA"}
adenostemmmoside g
{"Ingredient_id": "HBIN014702","Ingredient_name": "adenostemmmoside g","Alias": "NA","Ingredient_formula": "C26H40O10","Ingredient_Smile": "CC12CCCC(C1CCC34C2C5CC(C3)C(C4O)(O5)CO)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23671","TCMSP_id": "NA","TCM_ID_id": "7155","PubChem_id": "NA","DrugBank_id": "NA"}
andrographiside
{"Ingredient_id": "HBIN016018","Ingredient_name": "andrographiside","Alias": "NP-007511; Andrographiside; 82209-76-5; CHEMBL519275; ZINC42878570; MolPort-005-944-954; NCGC00385287-01_C26H40O10_2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(beta-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-; (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-Decahydro-6-hydroxy-5-[(beta-D-glucopyranosyloxy)methyl]-5,8a-dimethyl-2-methylenenaphthalene-1-yl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone; Andrographoside; 9091AF; andro-graphiside; (3E,4S)-3-{2-[(1R,4AS,5R,6R,8AS)-6-HYDROXY-5,8A-DIMETHYL-2-METHYLIDENE-5-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYLIDENE}-4-HYDROXYOXOLAN-2-ONE; MCULE-2506230438","Ingredient_formula": "C26H40O10","Ingredient_Smile": "CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)COC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "512.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14286;SMIT18731","TCMID_id": "24931","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113850","DrugBank_id": "NA"}