Exact Mass: 512.2634716

Exact Mass Matches: 512.2634716

Found 500 metabolites which its exact mass value is equals to given mass value 512.2634716, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pedilstatin

(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2Z,4E)-octa-2,4-dienoate

C30H40O7 (512.2773890000001)

A phorbol ester that is 4-deoxyphorbol in which the hydroxy groups at positions 12 and 13 have been replaced by octa-2,4-dienoyloxy and acetyloxy groups respectively.

(2R,5S,8S,9S,12S,13R,14R,15S,16R,17S,19R,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione

C30H40O7 (512.2773890000001)

Constituent of Artemisia absinthium (wormwood). Anabsin is found in alcoholic beverages and herbs and spices. Anabsin is found in alcoholic beverages. Anabsin is a constituent of Artemisia absinthium (wormwood).

Adosterol (incomplete stereochemistry)

8-(iodomethyl)-15-methyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-en-5-ol

C27H45IO (512.251499)

Iodocholesterol

2-(iodomethyl)-15-methyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

C27H45IO (512.251499)

(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

C27H45IO (512.251499)

Ganoderenic acid D

(Z)-6-[(5R,7S,10S,13R,14R,17R)-7-Hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid

C30H40O7 (512.2773890000001)

Ganoderenic acid D is a triterpenoid. CID 76378890 is a natural product found in Ganoderma applanatum and Ganoderma lucidum with data available.

3-O-beta-D-Glucopyranosylandrographolide

(-)-3-O-beta-D-Glucopyranosylandrographolide

C26H40O10 (512.2621340000001)

Ganoderenic acid G

(+)-Ganoderenic acid G

C30H40O7 (512.2773890000001)

Andrographiside

(3E,4S)-3-[2-[(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]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

C26H40O10 (512.2621340000001)

Andrographoside is a natural product found in Andrographis with data available.

1,3-Diacetylvilasinin

C30H40O7 (512.2773890000001)

A limonoid found in Azadirachta indica.

Kadcoccilactone D

(+)-Kadcoccilactone D

Elegain

C30H40O7 (512.2773890000001)

Pulcherralpin

C30H40O7 (512.2773890000001)

Applanoxidic acid E

C30H40O7 (512.2773890000001)

Seemarin

C30H40O7 (512.2773890000001)

Applanoxidic acid

(+)-Applanoxidic acid

C30H40O7 (512.2773890000001)

23S-Hydroxyl-11,15-dioxo-ganoderic acid DM

C25H40N2O7S (512.255609)

6,23-dioxo-7,8-dihydropristimerol-23-oic acid

C30H40O7 (512.2773890000001)

sarcodictyin F

C28H36N2O7 (512.2522386)

(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

(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

C32H36N2O4 (512.2674936)

1-oxo-7beta,9alpha,13-triangelyloxy-2-longipinene

C30H40O7 (512.2773890000001)

17-[(2Z,4E,6Z)-deca-2,4,6-trienoyloxy]ingenol|[(1R,1aR,2S,5R,5aR,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-1-yl]methyl (2Z,4E,6Z)-deca-2,4,6-trienoate

C26H40O10 (512.2621340000001)

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

NCGC00385288-01_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 (512.2621340000001)

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)

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)-

C26H40O10 (512.2621340000001)

3,6-dibenzyl-9-[(2,3-diamino-1,2-dihydroindol-3-yl)methyl]-1,4,7-triazonane-2,5,8-trione

C29H32N6O3 (512.2535762)

(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

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-phenylpropanamido]propanoic acid

C27H36N4O6 (512.2634716)

3-DEOXO-3β-ACETOXYDEOXYDIHYDROGEDUNIN

C30H40O7 (512.2773890000001)

3α-ACETOXYDIHYDRODEOXYGEDUNIN

C30H40O7 (512.2773890000001)

3β,7β-DIACETOXYDEOXODEACETOXYDEOXYDIHYDROGEDUNIN

C30H40O7 (512.2773890000001)

Ganoderic acid E

2-methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl}heptanoic acid

C30H40O7 (512.2773890000001)

Ganosporelactone A

10,20-dihydroxy-2,4,7,9,13,17,17-heptamethylspiro[oxolane-2,5-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-1(12)-ene-3,5,11,16-tetrone

C30H40O7 (512.2773890000001)

Anabsin

11,16-dihydroxy-3,8,11,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0^{1,17}.0^{2,14}.0^{4,13}.0^{5,9}.0^{19,27}.0^{22,26}]heptacos-3-ene-7,24-dione

C30H40O7 (512.2773890000001)

TMC-1A

(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]-2,4-dimethyloct-2-enamide

C28H36N2O7 (512.2522386)

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

(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

C28H36N2O7 (512.2522386)

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.

Exodeconolide E

16alpha-acetoxy-7alpha-hydroxy-24,25-epoxy-1-oxowitha-2,5-dien-26,22-olide

C30H40O7 (512.2773890000001)

Withacnistin

5beta,6beta:22R,26-diepoxyergosta-18-acetoxy-4beta-hydroxy-2,24-diene-1,26-dione

C30H40O7 (512.2773890000001)

(3β)-19-Iodocholest-5-en-3-ol

C27H45IO (512.251499)

n-undecyl-b-d-thiomaltoside

C23H44O10S (512.2655044)

Elastatinal

C21H36N8O7 (512.2706826)

(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

[5R-(5alpha,5abeta,8aalpha,9beta)]-9-[2-[N-[2-(Dimethylamino)ethyl]-N-methylamino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6-one

C28H36N2O7 (512.2522386)

Iodocholesterol (131I)

C27H45IO (512.251499)

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

Chaetoglobosin J

C32H36N2O4 (512.2674936)

A cytochalasan alkaloid found in Chaetomium globosum.

CID 52952013

C30H40O7 (512.2773890000001)

Cuniloside

C26H40O10 (512.2621340000001)

Norcholestenol iodomethyl ((sup 131)I)

C27H45IO (512.251499)

V - Various > V09 - Diagnostic radiopharmaceuticals > V09X - Other diagnostic radiopharmaceuticals > V09XA - Iodine (131i) compounds

[5-Acetyloxy-1-(furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3-oxo-1,5,6,6a,8,9,10,10b,11,12-decahydronaphtho[2,1-f]isochromen-8-yl] acetate

C30H40O7 (512.2773890000001)

(2R,5S,8S,9S,12S,13R,14R,15S,16R,17S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione

C30H40O7 (512.2773890000001)

(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

C27H45IO (512.251499)

7-Benzoylnimbocinol

(1s,2r,4s,5r,6r,7s,9r)-5-(acetyloxy)-2,6,10,10-tetramethyl-4-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate

C30H40O7 (512.2773890000001)

3-[(1r,2s,3r,5r,6r,10s,11s,13r)-3-hydroxy-2,6,10-trimethyl-5-[(1e)-1-[(2r,4s)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid

3-[(1r,2s,3r,5r,6r,10s,11s,13r)-3-hydroxy-2,6,10-trimethyl-5-[(1e)-1-[(2r,4s)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid

C30H40O7 (512.2773890000001)

(1'r,2s,4'r,5'r,6'r,10'r,12's,13's,16's,22'r)-4,4',6',12',17',17'-hexamethyl-9',18',23',24'-tetraoxaspiro[furan-2,8'-hexacyclo[20.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰.0¹⁶,²²]pentacosan]-20'-ene-5,19'-dione

(1'r,2s,4'r,5'r,6'r,10'r,12's,13's,16's,22'r)-4,4',6',12',17',17'-hexamethyl-9',18',23',24'-tetraoxaspiro[furan-2,8'-hexacyclo[20.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰.0¹⁶,²²]pentacosan]-20'-ene-5,19'-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

C26H40O10 (512.2621340000001)

[(1s,2r,6s,7r,9r,11s,12s,15r,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-hydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-16-yl]methyl acetate

[(1s,2r,6s,7r,9r,11s,12s,15r,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-hydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-16-yl]methyl acetate

C30H40O7 (512.2773890000001)

3,3,7,9-tetramethyl-5,6-bis[(2-methylbut-2-enoyl)oxy]-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-4-yl 2-methylbut-2-enoate

C30H40O7 (512.2773890000001)

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

C28H36N2O7 (512.2522386)

(3s)-3-o-(3',4'-diangeloyl-β-d-glucopyranosyl-oxy)-7-hydroperoxy-3,7-dimethylocta-1,5-diene

C26H40O10 (512.2621340000001)

{"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

C26H40O10 (512.2621340000001)

{"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

C26H40O10 (512.2621340000001)

{"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

C26H40O10 (512.2621340000001)

{"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

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

C26H40O10 (512.2621340000001)

{"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"}

applanoxidic acid A

C30H40O7 (512.2773890000001)

{"Ingredient_id": "HBIN016518","Ingredient_name": "applanoxidic acid A","Alias": "NA","Ingredient_formula": "C30H40O7","Ingredient_Smile": "CC(CC(=O)C=C(C)C1CC(C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(=O)C5(C)C)C)C)C)O)C(=O)O","Ingredient_weight": "512.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32362","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101618827","DrugBank_id": "NA"}

applanoxidic acid B

C30H40O7 (512.2773890000001)

{"Ingredient_id": "HBIN016519","Ingredient_name": "applanoxidic acid B","Alias": "NA","Ingredient_formula": "C30H40O7","Ingredient_Smile": "CC(CC(=O)C=C(C)C1CC(=O)C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(C5(C)C)O)C)C)C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38762","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

applanoxidic acid E

C30H40O7 (512.2773890000001)

{"Ingredient_id": "HBIN016522","Ingredient_name": "applanoxidic acid E","Alias": "NA","Ingredient_formula": "C30H40O7","Ingredient_Smile": "CC(CC(=O)C=C(C)C1CC(C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(=O)C5(C)C)C)C)C)O)C(=O)O","Ingredient_weight": "512.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38764","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101664506","DrugBank_id": "NA"}

1,10,16-trihydroxy-8,8,13-trimethyl-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-17-methylidene-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁸]nonadeca-2,4-dien-6-one

C30H40O7 (512.2773890000001)

(1r,2r,3s,8r,10r,11r,15r,16s)-3-(acetyloxy)-15-(furan-3-yl)-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-10-yl acetate

C30H40O7 (512.2773890000001)

(3r,4s,5r,6s)-6-({2-[(3r,3as,5r,7as)-3a-acetyl-3-hydroxy-7a-methyl-hexahydro-1h-inden-5-yl]propan-2-yl}oxy)-4,5-bis(acetyloxy)oxan-3-yl acetate

C26H40O10 (512.2621340000001)

(1r,3as,3bs,4r,6s,9ar,9bs,11ar)-6-hydroxy-1-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate

(1r,3as,3bs,4r,6s,9ar,9bs,11ar)-6-hydroxy-1-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate

(1's,3s,3ar,4s,4'r,4ar,7's,7as,8s,9r,9ar)-9-hydroxy-7'-(2-hydroxypropan-2-yl)-4a,5',8-trimethyl-2,5-dioxo-3a,4,7a,8,9,9a-hexahydrospiro[azuleno[6,5-b]furan-3,2'-bicyclo[2.2.2]octan]-5'-en-4-yl (2z)-2-methylbut-2-enoate

C30H40O7 (512.2773890000001)

{3,4,5-trihydroxy-6-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]oxan-2-yl}methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate

C26H40O10 (512.2621340000001)

(1r,9s,10r,12s,13r,16r)-1,10,16-trihydroxy-8,8,13-trimethyl-16-[(1s)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-17-methylidene-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁸]nonadeca-2,4-dien-6-one

(1r,9s,10r,12s,13r,16r)-1,10,16-trihydroxy-8,8,13-trimethyl-16-[(1s)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-17-methylidene-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁸]nonadeca-2,4-dien-6-one

12-[(8-acetyl-7-hydroxy-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

C30H40O7 (512.2773890000001)

(1s,3ar,3bs,7s,9ar,9br,11r,11ar)-1,3a,3b,7-tetrahydroxy-1-[(1r)-1-hydroxyethyl]-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3-phenylprop-2-enoate

C30H40O7 (512.2773890000001)

(3ar,4r,9s,11ar)-9-{[(3s,3ar,4s,9r,11ar)-4,9-dihydroxy-6,10-dimethyl-2-oxo-3h,3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-3-yl]methyl}-4-hydroxy-6,10-dimethyl-3-methylidene-3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one

(3ar,4r,9s,11ar)-9-{[(3s,3ar,4s,9r,11ar)-4,9-dihydroxy-6,10-dimethyl-2-oxo-3h,3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-3-yl]methyl}-4-hydroxy-6,10-dimethyl-3-methylidene-3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one

C30H40O7 (512.2773890000001)

4-hydroxy-3-{2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexahydro-1h-naphthalen-1-yl]ethylidene}oxolan-2-one

C26H40O10 (512.2621340000001)

(9s,12s,16r,17s,19s,23s,26s)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione

C30H40O7 (512.2773890000001)

2-methyl-4-oxo-6-{6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}heptanoic acid

C30H40O7 (512.2773890000001)

(1r,2r,5s,8s,9s,12s,13r,14r,15r,16r,17s,20s,21s,24s,26s)-12,17,26-trihydroxy-3,8,12,17,21-pentamethyl-25-methylidene-6,23-dioxaheptacyclo[13.9.2.0¹,¹⁶.0²,¹⁴.0⁴,¹³.0⁵,⁹.0²⁰,²⁴]hexacos-3-ene-7,22-dione

(1r,2r,5s,8s,9s,12s,13r,14r,15r,16r,17s,20s,21s,24s,26s)-12,17,26-trihydroxy-3,8,12,17,21-pentamethyl-25-methylidene-6,23-dioxaheptacyclo[13.9.2.0¹,¹⁶.0²,¹⁴.0⁴,¹³.0⁵,⁹.0²⁰,²⁴]hexacos-3-ene-7,22-dione

C30H40O7 (512.2773890000001)

(1s,2r,5s,8s,9s,12s,13r,14r,15r,16s,19s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione

(1s,2r,5s,8s,9s,12s,13r,14r,15r,16s,19s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione

(1r,3as,3bs,4s,9ar,9bs,11as)-1-hydroxy-1-[(1r,4r,5r,7s)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-9a,11a-dimethyl-9-oxo-2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate

(1r,3as,3bs,4s,9ar,9bs,11as)-1-hydroxy-1-[(1r,4r,5r,7s)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-9a,11a-dimethyl-9-oxo-2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate

C32H36N2O4 (512.2674936)

(3r,3ar,6s,6as,9ar,9br)-3-{2-[(6s,6as,9ar,9br)-6,9a-dimethyl-2,9-dioxo-4h,5h,6h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-3-yl]ethyl}-3-hydroxy-6,9a-dimethyl-octahydroazuleno[4,5-b]furan-2,9-dione

C30H40O7 (512.2773890000001)

(3ar,7s,11r)-1,3a,3b,7-tetrahydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2z)-3-phenylprop-2-enoate

C30H40O7 (512.2773890000001)

(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

(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

C26H40O10 (512.2621340000001)

3-[(1r,2s,3r,5r,6r,10s,11s,13r)-3-hydroxy-2,6,10-trimethyl-5-[(1e)-1-[(2s,4r)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid

3-[(1r,2s,3r,5r,6r,10s,11s,13r)-3-hydroxy-2,6,10-trimethyl-5-[(1e)-1-[(2s,4r)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid

(1r,2r,5s,8s,9s,12s,13s,14r,15r,17s,19s,22s,23s,26s,27s)-12,27-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione

C30H40O7 (512.2773890000001)

(3e,4s)-3-{2-[(1r,4as,5r,6r,8ar)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-1h-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one

(3e,4s)-3-{2-[(1r,4as,5r,6r,8ar)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-1h-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one

(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,4s,5r,9r,10s,11s,13s,14s,16s)-16-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹⁴.0¹,¹⁰.0⁴,⁹]heptadecane-5-carboxylate

(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,4s,5r,9r,10s,11s,13s,14s,16s)-16-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹⁴.0¹,¹⁰.0⁴,⁹]heptadecane-5-carboxylate

C26H40O10 (512.2621340000001)

(3e,4s)-3-{2-[(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

(3e,4s)-3-{2-[(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

(2s)-2-{n-[(s)-{[(1s)-3-(c-hydroxycarbonimidoyl)-1-{[(2s)-1-oxopropan-2-yl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}(2-imino-1,3-diazinan-4-yl)methyl]-(c-hydroxycarbonimidoyl)amino}-4-methylpentanoic acid

C21H36N8O7 (512.2706826)

methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate

C28H36N2O7 (512.2522386)

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4s,5r,9r,10r,11s,13r,14s,16s)-10,16-dihydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹⁴.0¹,¹⁰.0⁴,⁹]heptadecane-5-carboxylate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4s,5r,9r,10r,11s,13r,14s,16s)-10,16-dihydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹⁴.0¹,¹⁰.0⁴,⁹]heptadecane-5-carboxylate

C26H40O10 (512.2621340000001)

(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}-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}-hexahydro-1h-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one

(3z,4r)-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

C26H40O10 (512.2621340000001)