Exact Mass: 512.2599
Exact Mass Matches: 512.2599
Found 251 metabolites which its exact mass value is equals to given mass value 512.2599
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Adosterol (incomplete stereochemistry)
Iodocholesterol
(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.
(13E,16S,17E,19R,21E)-19-hydroxy-10-(1H-indol-3-yl)-16,18-dimethyl-<13>cytochalasa-6,13,17,21-tetraene-1,20,23-trione, (chaetoglobosin J)|19-hydroxy-10-indol-3-yl-16,18-dimethyl-[13]cytochalasa-6,13,17,21-tetraene-1,20,23-trione|Chaetoglobosin I|Chaetoglobosin J
(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
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\\%
Ala Phe Ile Tyr
Ala Phe Leu Tyr
Ala Phe Tyr Ile
Ala Phe Tyr Leu
Ala Ile Phe Tyr
Ala Ile Tyr Phe
Ala Leu Phe Tyr
Ala Leu Tyr Phe
Ala Tyr Phe Ile
Ala Tyr Phe Leu
Ala Tyr Ile Phe
Ala Tyr Leu Phe
Phe Ala Ile Tyr
Phe Ala Leu Tyr
Phe Ala Tyr Ile
Phe Ala Tyr Leu
Phe Phe Ile Ser
Phe Phe Leu Ser
Phe Phe Ser Ile
Phe Phe Ser Leu
Phe Phe Thr Val
Phe Phe Val Thr
Phe Ile Ala Tyr
Phe Ile Phe Ser
Phe Ile Ser Phe
Phe Ile Tyr Ala
Phe Leu Ala Tyr
Phe Leu Phe Ser
Phe Leu Ser Phe
Phe Leu Tyr Ala
Phe Ser Phe Ile
Phe Ser Phe Leu
Phe Ser Ile Phe
Phe Ser Leu Phe
Phe Thr Phe Val
Phe Thr Val Phe
Phe Val Phe Thr
Phe Val Thr Phe
Phe Tyr Ala Ile
Phe Tyr Ala Leu
Phe Tyr Ile Ala
Phe Tyr Leu Ala
Ile Ala Phe Tyr
Ile Ala Tyr Phe
Ile Phe Ala Tyr
Ile Phe Phe Ser
Ile Phe Ser Phe
Ile Phe Tyr Ala
Ile Ser Phe Phe
Ile Tyr Ala Phe
Ile Tyr Phe Ala
Leu Ala Phe Tyr
Leu Ala Tyr Phe
Leu Phe Ala Tyr
Leu Phe Phe Ser
Leu Phe Ser Phe
Leu Phe Tyr Ala
Leu Ser Phe Phe
Leu Tyr Ala Phe
Leu Tyr Phe Ala
Ser Phe Phe Ile
Ser Phe Phe Leu
Ser Phe Ile Phe
Ser Phe Leu Phe
Ser Ile Phe Phe
Ser Leu Phe Phe
Thr Phe Phe Val
Thr Phe Val Phe
Thr Val Phe Phe
Val Phe Phe Thr
Val Phe Thr Phe
Val Thr Phe Phe
Tyr Ala Phe Ile
Tyr Ala Phe Leu
Tyr Ala Ile Phe
Tyr Ala Leu Phe
Tyr Phe Ala Ile
Tyr Phe Ala Leu
Tyr Phe Ile Ala
Tyr Phe Leu Ala
Tyr Ile Ala Phe
Tyr Ile Phe Ala
Tyr Leu Ala Phe
Tyr Leu Phe Ala
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
7-Benzoylnimbocinol
A limonoid that is the benzoate ester of nimbocinol. It has been isolated from Azadirachta indica.
2[(3alpha,12alpha-Dihydroxy-7,24-dioxo-5beta-cholan-24-yl)amino]ethane-1-sulfonate
2-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(5S,6R,9R)-8-(cyclobutanecarbonyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea
2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
1-[(5S,6S,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(5R,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
2-methoxy-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea
4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
1-[(5S,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(5R,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
2-methoxy-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]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
(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
1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h-cyclotrideca[d]isoindole-14,17-dione
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
(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"}
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"}