Exact Mass: 542.2925

Annotation level-1

N-deacetyllappaconitine

[(1S,3S,4S,5R,6S,8S,9S,13S,16S,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

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

Asp Pro Arg Arg

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

Asp Arg Pro Arg

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid

Asp Arg Arg Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

His Lys Lys Met

(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido]hexanamido]-4-(methylsulfanyl)butanoic acid

His Lys Met Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido]-4-(methylsulfanyl)butanamido]hexanoic acid

His Met Lys Lys

(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]hexanamido]hexanoic acid

Ile Pro Gln Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

Ile Pro Trp Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

Ile Gln Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

Ile Gln Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

Ile Trp Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

Ile Trp Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

Lys His Lys Met

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]-4-(methylsulfanyl)butanoic acid

Lys His Met Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]hexanoic acid

Lys Lys His Met

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

Lys Lys Met His

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

Lys Met His Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

Lys Met Lys His

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]hexanamido]-3-(1H-imidazol-4-yl)propanoic acid

Leu Pro Gln Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

Leu Pro Trp Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

Leu Gln Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

Leu Gln Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

Leu Trp Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

Leu Trp Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

Met His Lys Lys

(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]hexanoic acid

Met Lys His Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

Met Lys Lys His

(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]hexanamido]-3-(1H-imidazol-4-yl)propanoic acid

Pro Asp Arg Arg

(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]pentanamido]pentanoic acid

Pro Ile Gln Trp

(2S)-2-[(2S)-4-carbamoyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]butanamido]-3-(1H-indol-3-yl)propanoic acid

Pro Ile Trp Gln

(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]propanamido]butanoic acid

Pro Leu Gln Trp

(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]butanamido]-3-(1H-indol-3-yl)propanoic acid

Pro Leu Trp Gln

(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]propanamido]butanoic acid

Pro Gln Ile Trp

(2S)-2-[(2S,3S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

Pro Gln Leu Trp

(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

Pro Gln Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

Pro Gln Trp Leu

(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

Pro Arg Asp Arg

(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-carboxypropanamido]pentanoic acid

Pro Arg Arg Asp

(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]butanedioic acid

Pro Trp Ile Gln

(2S)-4-carbamoyl-2-[(2S,3S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-methylpentanamido]butanoic acid

Pro Trp Leu Gln

(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-methylpentanamido]butanoic acid

Pro Trp Gln Ile

(2S,3S)-2-[(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]-3-methylpentanoic acid

Pro Trp Gln Leu

(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]-4-methylpentanoic acid

Gln Ile Pro Trp

(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

Gln Ile Trp Pro

(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

Gln Leu Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

Gln Leu Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

Gln Pro Ile Trp

(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

Gln Pro Leu Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

Gln Pro Trp Ile

(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

Gln Pro Trp Leu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

Gln Trp Ile Pro

(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

Gln Trp Leu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Gln Trp Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

Gln Trp Pro Leu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

Arg Asp Pro Arg

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid

Arg Asp Arg Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

Arg Pro Asp Arg

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

Arg Pro Arg Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]butanedioic acid

Arg Arg Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

Arg Arg Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

Trp Ile Pro Gln

(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

Trp Ile Gln Pro

(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

Trp Leu Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

Trp Leu Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

Trp Pro Ile Gln

(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-carbamoylbutanoic acid

Trp Pro Leu Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-carbamoylbutanoic acid

Trp Pro Gln Ile

(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylpentanoic acid

Trp Pro Gln Leu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-4-methylpentanoic acid

Trp Gln Ile Pro

(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

Trp Gln Leu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Trp Gln Pro Ile

(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid

Trp Gln Pro Leu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid

Gracilosulfate E

4beta,15beta,23R-trihydroxy,5beta,6beta-epoxy-24-methylenecholest-3beta-yl sulfate

C28H46O8S (542.2913)

Gracilosulfate F

4beta,11beta,15beta,23R-tetrahydroxy-24-methylenecholest-5-en-3beta-yl-sulfate

C28H46O8S (542.2913)

N-Deacetyllapaconitine

N-deacetyllappaconitine

2,3-dihydroxypropyl [3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-2-hydroxypropyl] hydrogen phosphate

(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

PA O-25:5;O

PA P-18:1/7:3;O

LPG O-22:6

LPG P-22:5

LPG P-22:5 or LPG O-22:6

LPG 18:1;O2

C24H47O11P (542.2856)

PEth 23:4

PM 24:4

ST 25:5;O2;GlcA

ST 25:6;O3;Hex

(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

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

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

[(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

[(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_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"}

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"}

2,13,14,20,27-pentahydroxy-11-(1-methoxyethyl)-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁷,¹⁵.0⁸,¹²]octacosa-1,3,18,20,26-pentaen-28-one

(1s,2r,3ar,4r,5r,9s,11s,13ar)-4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

3a,4-bis(acetyloxy)-9,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

(1s,2r,3ar,4s,5s,9r,11r,13as)-3a,4-bis(acetyloxy)-9,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

6-hydroxy-6-{13-hydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,7-dien-14-yl}-2-methyl-5-oxohept-3-en-2-yl acetate

4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

methyl (2r,6s)-6-[(1s,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate

2-hydroxy-3-[16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-en-1-yl]-5-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione

15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-14-en-13-yl acetate

(1r,3r,3as,4's,6ar)-3-{2-[(2s)-6-(acetyloxy)-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]acetyl}-3a,5',5',6a-tetramethyl-tetrahydrospiro[cyclopenta[c]furan-1,2'-oxolan]-4'-yl acetate

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

(2e,4e,6e,8e)-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

3-{1-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-oxoheptyl}-4-hydroxy-5-isopropyl-6-propylpyran-2-one

(1s,2s,3ar,4s,5s,9r,11r,13as)-4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

methyl (2r,5e)-6-[(1r,3ar,4s,5ar,9as,11s,11ar)-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)-12-{[(1s,3r,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

methyl 6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoate

(3e,5s,7r,8r,10r,11r,12r,13s,14s,15r,16s,18z,25s)-2,13,14,20,27-pentahydroxy-11-[(1r)-1-methoxyethyl]-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁷,¹⁵.0⁸,¹²]octacosa-1,3,18,20,26-pentaen-28-one

(3e,5s,7r,8r,10r,11r,12r,13s,14s,15r,16s,18z,25s)-2,13,14,20,27-pentahydroxy-11-[(1r)-1-methoxyethyl]-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁷,¹⁵.0⁸,¹²]octacosa-1,3,18,20,26-pentaen-28-one

6-hydroxy-2-methyl-5-oxo-6-{2,7,8-trihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl}hept-3-en-2-yl acetate

(1s,2r,5r,7s,9r,11r,12r,13s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-14-en-13-yl acetate

(1s,2r,5r,7s,9r,11r,12r,13s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-14-en-13-yl acetate