Exact Mass: 604.2605126
Exact Mass Matches: 604.2605126
Found 123 metabolites which its exact mass value is equals to given mass value 604.2605126,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
6-Hydroxysandoricin
Methyl 2-[5,11-bis(acetyloxy)-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]-2-hydroxyacetic acid
6-Hydroxysandoricin is a constituent of Sandoricum koetjape (santol).
12beta.21-Di-O-benzoyl-viminolon (Genin-H)|Di-O-benzoyl-viminolon
12beta.21-Di-O-benzoyl-viminolon (Genin-H)|Di-O-benzoyl-viminolon
6-Hydroxysandoricin
methyl 2-[5,11-bis(acetyloxy)-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0^{1,12}.0^{3,8}]heptadecan-7-yl]-2-hydroxyacetate
1beta,2beta-diacetoxy-6alpha-benzoyloxy-beta-dihydroagarofuran
1beta,2beta-diacetoxy-6alpha-benzoyloxy-beta-dihydroagarofuran
C31H40O12_Butanoic acid, 2-methyl-, 9-(3-furanyl)decahydro-2,6,8,9,14-pentahydroxy-3,8a-dimethyl-7-oxo-12H,13aH-3,6a,11b-[1,1,3]propanetriyl-2H,8H-oxireno[3,3a]indeno[5,4:4,5]pyrano[2,3-b]oxocin-4-yl ester
NCGC00347665-02_C31H40O12_Butanoic acid, 2-methyl-, 9-(3-furanyl)decahydro-2,6,8,9,14-pentahydroxy-3,8a-dimethyl-7-oxo-12H,13aH-3,6a,11b-[1,1,3]propanetriyl-2H,8H-oxireno[3,3a]indeno[5,4:4,5]pyrano[2,3-b]oxocin-4-yl ester
6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0¹,¹⁰.0²,⁴.0²,⁷.0¹¹,¹⁸.0¹⁵,²³]tricosan-14-yl 2-methylbutanoate
6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0¹,¹⁰.0²,⁴.0²,⁷.0¹¹,¹⁸.0¹⁵,²³]tricosan-14-yl 2-methylbutanoate
6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0¹,¹⁰.0²,⁴.0²,⁷.0¹¹,¹⁸.0¹⁵,²³]tricosan-14-yl 2-methylbutanoate_major
6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0¹,¹⁰.0²,⁴.0²,⁷.0¹¹,¹⁸.0¹⁵,²³]tricosan-14-yl 2-methylbutanoate_major
Asp Glu Arg Trp
(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid
Asp Glu Trp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid
Asp Arg Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Asp Arg Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Asp Val Trp Trp
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
C31H36N6O7 (604.2645345999999)
Asp Trp Glu Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid
Asp Trp Arg Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]pentanedioic acid
Asp Trp Val Trp
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
C31H36N6O7 (604.2645345999999)
Asp Trp Trp Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid
C31H36N6O7 (604.2645345999999)
Glu Asp Arg Trp
(4S)-4-amino-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid
Glu Asp Trp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid
Glu Phe Phe Tyr
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
Glu Phe Tyr Phe
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
Glu Arg Asp Trp
(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butanoic acid
Glu Arg Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
Glu Trp Asp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid
Glu Trp Arg Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]butanedioic acid
Glu Tyr Phe Phe
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Phe Glu Phe Tyr
(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
Phe Glu Tyr Phe
(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Phe Phe Glu Tyr
(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Phe Phe Tyr Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Phe Tyr Glu Phe
(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid
Phe Tyr Phe Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]pentanedioic acid
Pro Tyr Tyr Tyr
(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]propanoic acid
Arg Asp Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Arg Asp Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Arg Glu Asp Trp
(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Arg Glu Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
Arg Trp Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]pentanedioic acid
Arg Trp Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]butanedioic acid
Val Asp Trp Trp
(3S)-3-[(2S)-2-amino-3-methylbutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
C31H36N6O7 (604.2645345999999)
Val Trp Asp Trp
(3S)-3-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
C31H36N6O7 (604.2645345999999)
Val Trp Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
C31H36N6O7 (604.2645345999999)
Trp Asp Glu Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid
Trp Asp Arg Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]pentanedioic acid
Trp Asp Val Trp
(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
C31H36N6O7 (604.2645345999999)
Trp Asp Trp Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid
C31H36N6O7 (604.2645345999999)
Trp Glu Asp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid
Trp Glu Arg Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]butanedioic acid
Trp Arg Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]pentanedioic acid
Trp Arg Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]butanedioic acid
Trp Val Asp Trp
(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
C31H36N6O7 (604.2645345999999)
Trp Val Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
C31H36N6O7 (604.2645345999999)
Trp Trp Asp Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-methylbutanoic acid
C31H36N6O7 (604.2645345999999)
Trp Trp Val Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]butanedioic acid
C31H36N6O7 (604.2645345999999)
Tyr Glu Phe Phe
(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
Tyr Phe Glu Phe
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid
Tyr Phe Phe Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]pentanedioic acid
Tyr Pro Tyr Tyr
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Tyr Tyr Pro Tyr
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid
Tyr Tyr Tyr Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Quarfloxin
Quarfloxin (CX-3543)
C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
Asp-Trp-Trp-Val
Asp-Trp-Trp-Val
C31H36N6O7 (604.2645345999999)
A tetrapeptide composed of L-aspartic acid, two L-tryptophan units and L-valine joined in sequence by peptide linkages.
(1s,2r,4s,5r,6r,7r,9r,12r)-4,5-bis(acetyloxy)-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl benzoate
(1s,2r,4s,5r,6r,7r,9r,12r)-4,5-bis(acetyloxy)-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl benzoate
[(1s,3r,4s,5s,7r,9r,10s,11s,12r)-10-(furan-3-yl)-11-hydroxy-8-[(2-hydroxy-3-methylbutanoyl)oxy]-4-[(2r,3r)-2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
[(1s,3r,4s,5s,7r,9r,10s,11s,12r)-10-(furan-3-yl)-11-hydroxy-8-[(2-hydroxy-3-methylbutanoyl)oxy]-4-[(2r,3r)-2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
methyl (2s)-2-[(1r,2s,5s,6s,10s,11r,12s,13s,14s,15s,17r,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
methyl (2s)-2-[(1r,2s,5s,6s,10s,11r,12s,13s,14s,15s,17r,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
1-[(8r,21r)-13-hydroxy-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25,27,32-dodecaen-7-yl]ethanone
1-[(8r,21r)-13-hydroxy-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25,27,32-dodecaen-7-yl]ethanone
C37H36N2O6 (604.2573236000001)
ethyl 2-[(1s,3s,4r,7r,8s,9r,11s,14s,17r,22s,23r,26s)-4,9,22-trihydroxy-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacos-16(20)-en-17-yl]acetate
ethyl 2-[(1s,3s,4r,7r,8s,9r,11s,14s,17r,22s,23r,26s)-4,9,22-trihydroxy-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacos-16(20)-en-17-yl]acetate
[10-(furan-3-yl)-11-hydroxy-8-[(2-hydroxy-3-methylbutanoyl)oxy]-4-[2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
[10-(furan-3-yl)-11-hydroxy-8-[(2-hydroxy-3-methylbutanoyl)oxy]-4-[2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
(1r,2r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl benzoate
(1r,2r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl benzoate
13-o-deacetyltaxumairolz
NA
{"Ingredient_id": "HBIN001277","Ingredient_name": "13-o-deacetyltaxumairolz","Alias": "NA","Ingredient_formula": "C31H40O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)COC(=O)C)O)O","Ingredient_weight": "604.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4784","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138114030","DrugBank_id": "NA"}
1β,2β-diacetoxy-6α-benzoyloxy-9α-cinnamoyl-oxy-β-dihydroagarofuran
NA
{"Ingredient_id": "HBIN002353","Ingredient_name": "1\u03b2,2\u03b2-diacetoxy-6\u03b1-benzoyloxy-9\u03b1-cinnamoyl-oxy-\u03b2-dihydroagarofuran","Alias": "NA","Ingredient_formula": "C35H40O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5284","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9(betah)-9-dihydro-19-acetoxy-10-deacetylbaccatin iii
9(βh)-9-dihydro-19-acetoxy-10-deacetyl-baccatin iii
{"Ingredient_id": "HBIN014070","Ingredient_name": "9(betah)-9-dihydro-19-acetoxy-10-deacetylbaccatin iii","Alias": "9(\u03b2h)-9-dihydro-19-acetoxy-10-deacetyl-baccatin iii","Ingredient_formula": "C31H40O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)COC(=O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30119;5537","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,3s,10r,13s,16s)-16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
(1s,3s,10r,13s,16s)-16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
(1s,3ar,3bs,7s,9ar,9br,11r,11as)-1-[2-(benzoyloxy)acetyl]-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate
(1s,3ar,3bs,7s,9ar,9br,11r,11as)-1-[2-(benzoyloxy)acetyl]-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate
1-[2-(benzoyloxy)acetyl]-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate
1-[2-(benzoyloxy)acetyl]-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate
1-[(8s,21s)-13-hydroxy-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25,27,32-dodecaen-7-yl]ethanone
1-[(8s,21s)-13-hydroxy-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25,27,32-dodecaen-7-yl]ethanone
C37H36N2O6 (604.2573236000001)
(1s,2r,4s,5r,6r,7s,9r)-5-(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate
(1s,2r,4s,5r,6r,7s,9r)-5-(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate
[(1s,3r,4r,5s,7r,8r,9r,10s,11r,12r)-10-(furan-3-yl)-11-hydroxy-8-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-4-[(2s,3r)-2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
[(1s,3r,4r,5s,7r,8r,9r,10s,11r,12r)-10-(furan-3-yl)-11-hydroxy-8-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-4-[(2s,3r)-2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
(1s,2r,4s,5s,6r,7s,9r,12r)-5,12-bis(acetyloxy)-2,6,10,10-tetramethyl-4-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,4s,5s,6r,7s,9r,12r)-5,12-bis(acetyloxy)-2,6,10,10-tetramethyl-4-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
21,25,35-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.2⁹,¹².1¹⁸,²².0¹¹,¹⁶.0²⁷,³¹]heptatriaconta-1(31),3,5,9(35),10,12(34),18,20,22(33),24(32),25,27,29,36-tetradecaen-10-ol
21,25,35-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.2⁹,¹².1¹⁸,²².0¹¹,¹⁶.0²⁷,³¹]heptatriaconta-1(31),3,5,9(35),10,12(34),18,20,22(33),24(32),25,27,29,36-tetradecaen-10-ol
C37H36N2O6 (604.2573236000001)
ethyl 2-{4,9,22-trihydroxy-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacos-16(20)-en-17-yl}acetate
ethyl 2-{4,9,22-trihydroxy-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacos-16(20)-en-17-yl}acetate
(1s)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,14(33),15,17,19,21,24,26,31,35-tetradecaen-15-ium-21-olate
(1s)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,14(33),15,17,19,21,24,26,31,35-tetradecaen-15-ium-21-olate
C37H36N2O6 (604.2573236000001)
(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-amino-3-carboxy-1-hydroxypropylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-3-methylbutanoic acid
(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-amino-3-carboxy-1-hydroxypropylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-3-methylbutanoic acid
C31H36N6O7 (604.2645345999999)
{4-[3-(furan-3-yl)-2,5-dihydroxy-4-[(2-hydroxy-3-methylbutanoyl)oxy]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl}acetic acid
{4-[3-(furan-3-yl)-2,5-dihydroxy-4-[(2-hydroxy-3-methylbutanoyl)oxy]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl}acetic acid
9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,14(33),15,17,19,21,24,26,31,35-tetradecaen-15-ium-21-olate
9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,14(33),15,17,19,21,24,26,31,35-tetradecaen-15-ium-21-olate
C37H36N2O6 (604.2573236000001)
methyl (2s)-2-[(1r,2r,5s,6r,10s,11s,12s,13s,14r,15s,17s,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
methyl (2s)-2-[(1r,2r,5s,6r,10s,11s,12s,13s,14r,15s,17s,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
(1r,2s,3s,5s,8r,9r,10r,11s,13r,16s)-16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
(1r,2s,3s,5s,8r,9r,10r,11s,13r,16s)-16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
(1r,3s,7r,9s,12r,14r,15s,16s,17r,20z,24s,28r)-24-ethoxy-28-hydroxy-10,16-dimethyl-4,19-dioxo-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20-dien-9-yl acetate
(1r,3s,7r,9s,12r,14r,15s,16s,17r,20z,24s,28r)-24-ethoxy-28-hydroxy-10,16-dimethyl-4,19-dioxo-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20-dien-9-yl acetate
(1r)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,14(33),15,17,19,21,24(32),25,27(31),34-tetradecaen-15-ium-21-olate
(1r)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,14(33),15,17,19,21,24(32),25,27(31),34-tetradecaen-15-ium-21-olate
C37H36N2O6 (604.2573236000001)
[(3ar,4r,5r,7ar)-4-[(1ar,2r,3s,3ar,4r,5r,6r,7as)-3-(furan-3-yl)-2,5-dihydroxy-4-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl]acetic acid
[(3ar,4r,5r,7ar)-4-[(1ar,2r,3s,3ar,4r,5r,6r,7as)-3-(furan-3-yl)-2,5-dihydroxy-4-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl]acetic acid
methyl 2-[(1r,3r,4r,5s,7s,8r,9r,10r,12s,13s)-4,5-bis(acetyloxy)-13-(furan-3-yl)-9,10-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1r,3r,4r,5s,7s,8r,9r,10r,12s,13s)-4,5-bis(acetyloxy)-13-(furan-3-yl)-9,10-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
(16s)-21,25,35-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.2⁹,¹².1¹⁸,²².0¹¹,¹⁶.0²⁷,³¹]heptatriaconta-1(31),3,5,9(35),10,12(34),18,20,22(33),24(32),25,27,29,36-tetradecaen-10-ol
(16s)-21,25,35-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.2⁹,¹².1¹⁸,²².0¹¹,¹⁶.0²⁷,³¹]heptatriaconta-1(31),3,5,9(35),10,12(34),18,20,22(33),24(32),25,27,29,36-tetradecaen-10-ol
C37H36N2O6 (604.2573236000001)
4,5-bis(acetyloxy)-2,6,10,10-tetramethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl benzoate
4,5-bis(acetyloxy)-2,6,10,10-tetramethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl benzoate
17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl benzoate
17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl benzoate
1-{13-hydroxy-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25,27,32-dodecaen-7-yl}ethanone
1-{13-hydroxy-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25,27,32-dodecaen-7-yl}ethanone
C37H36N2O6 (604.2573236000001)
methyl 2-[12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
methyl 2-[12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
[(3ar,4r,5r,7ar)-4-[(1ar,2r,3s,3ar,4r,5r,6r,7as)-3-(furan-3-yl)-2,5-dihydroxy-4-[(2-hydroxy-3-methylbutanoyl)oxy]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl]acetic acid
[(3ar,4r,5r,7ar)-4-[(1ar,2r,3s,3ar,4r,5r,6r,7as)-3-(furan-3-yl)-2,5-dihydroxy-4-[(2-hydroxy-3-methylbutanoyl)oxy]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl]acetic acid
methyl 2-[(1r,3r,4r,5s,7s,8r,9s,10r,12s,13s)-4,5-bis(acetyloxy)-13-(furan-3-yl)-9,10-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1r,3r,4r,5s,7s,8r,9s,10r,12s,13s)-4,5-bis(acetyloxy)-13-(furan-3-yl)-9,10-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
methyl 2-[(1s,3r,4r,5s,7s,8s,9s,10s,11s,12s,16r)-4,5-bis(acetyloxy)-12-(furan-3-yl)-10-hydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.0¹,¹¹.0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1s,3r,4r,5s,7s,8s,9s,10s,11s,12s,16r)-4,5-bis(acetyloxy)-12-(furan-3-yl)-10-hydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.0¹,¹¹.0³,⁸]heptadecan-7-yl]acetate
(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate
(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate