Exact Mass: 512.2634716
Exact Mass Matches: 512.2634716
Found 252 metabolites which its exact mass value is equals to given mass value 512.2634716
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
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
His Lys Gln Thr
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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
Lys His Gln Thr
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Leu Ala Phe Tyr
Leu Ala Tyr Phe
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Leu Phe Phe Ser
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Leu Phe Tyr Ala
Leu Ser Phe Phe
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Gln His Lys Thr
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Ser Phe Phe Ile
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Tyr Ala Phe Ile
Tyr Ala Phe Leu
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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
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
2-[n-({[3-(c-hydroxycarbonimidoyl)-1-[(1-oxopropan-2-yl)-c-hydroxycarbonimidoyl]propyl]-c-hydroxycarbonimidoyl}(2-imino-1,3-diazinan-4-yl)methyl)-(c-hydroxycarbonimidoyl)amino]-4-methylpentanoic 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
{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"}