Exact Mass: 604.252

Exact Mass Matches: 604.252

Found 98 metabolites which its exact mass value is equals to given mass value 604.252, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

N-Demethyl-desepoxy-AP-3

N-Demethyl-desepoxyansamitocin P-3; N-Demethyl-desepoxy-AP-3

C31H41ClN2O8 (604.2551)


   

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

C31H40O12 (604.252)


6-Hydroxysandoricin is a constituent of Sandoricum koetjape (santol).

   

Cineracipadesin B

Cineracipadesin B

C31H40O12 (604.252)


   

(+)-Cycleatjehenine

(+)-Cycleatjehenine

C37H36N2O6 (604.2573)


   

N-Acetylnortiliacorinine A

N-Acetylnortiliacorinine A

C37H36N2O6 (604.2573)


   

Xyloccensin Z2

Xyloccensin Z2

C31H40O12 (604.252)


   

13-O-Deacetyltaxumairol Z

13-O-Deacetyltaxumairol Z

C31H40O12 (604.252)


   

Berbacolorflammine

Berbacolorflammine

C37H36N2O6 (604.2573)


   
   

NCGC00347665-02

NCGC00347665-02

C31H40O12 (604.252)


   

dysoxylumic acid A

dysoxylumic acid A

C31H40O12 (604.252)


   

bis-5,6-dihydro-2(1H)-pyridonyl-trans-trans-trans-2-(2,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-cyclobutanedicarboxamide|piperarborenine D

bis-5,6-dihydro-2(1H)-pyridonyl-trans-trans-trans-2-(2,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-cyclobutanedicarboxamide|piperarborenine D

C33H36N2O9 (604.2421)


   

cipadonoid G

cipadonoid G

C31H40O12 (604.252)


   

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

C31H40O12 (604.252)


   

toonacilianin J

toonacilianin J

C31H40O12 (604.252)


   

dysoxylumic acid C

dysoxylumic acid C

C31H40O12 (604.252)


   

rubriflorin I

rubriflorin I

C31H40O12 (604.252)


   

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

C31H40O12 (604.252)


   

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

C31H40O12 (604.252)


   

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

C31H40O12 (604.252)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

Phe Phe Tyr Glu

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

Phe Tyr Phe Glu

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C26H36N8O9 (604.2605)


   

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

Tyr Phe Phe Glu

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

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

C32H36N4O8 (604.2533)


   

Quarfloxin

Quarfloxin (CX-3543)

C35H33FN6O3 (604.2598)


C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C52588 - Antibacterial Agent

   

5-O-DMT-2-O-MOE-rU

5-O-DMT-2-O-MOE-rU

C33H36N2O9 (604.2421)


   

Glu-Trp-Asp-Arg

Glu-Trp-Asp-Arg

C26H36N8O9 (604.2605)


   

ST 25:6;O6;GlcA

ST 25:6;O6;GlcA

C31H40O12 (604.252)


   

ST 25:7;O7;Hex

ST 25:7;O7;Hex

C31H40O12 (604.252)


   

6-(hydroxymethyl)-1,6-dimethyl-7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione; tanshinone iia

6-(hydroxymethyl)-1,6-dimethyl-7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione; tanshinone iia

C38H36O7 (604.2461)


   

[(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

C31H40O12 (604.252)


   

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

C31H40O12 (604.252)


   

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 (604.2573)


   

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

C31H40O12 (604.252)


   

[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

C31H40O12 (604.252)


   

1-[2-(3,4-dimethoxyphenyl)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

1-[2-(3,4-dimethoxyphenyl)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

C33H36N2O9 (604.2421)


   

13-o-deacetyltaxumairolz

NA

C31H40O12 (604.252)


{"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"}

   

9(betah)-9-dihydro-19-acetoxy-10-deacetylbaccatin iii

9(βh)-9-dihydro-19-acetoxy-10-deacetyl-baccatin iii

C31H40O12 (604.252)


{"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

C31H40O12 (604.252)


   

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 (604.2573)


   

[(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

C31H40O12 (604.252)


   

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 (604.2573)


   

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

C31H40O12 (604.252)


   

1-[(1s,3s)-2-(3,4-dimethoxyphenyl)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

1-[(1s,3s)-2-(3,4-dimethoxyphenyl)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

C33H36N2O9 (604.2421)


   

(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 (604.2573)


   

{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

C31H40O12 (604.252)


   

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 (604.2573)


   

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

C31H40O12 (604.252)


   

1-[(1s,2r,3s,4s)-2-(3,4-dimethoxyphenyl)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

1-[(1s,2r,3s,4s)-2-(3,4-dimethoxyphenyl)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

C33H36N2O9 (604.2421)


   

(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

C31H40O12 (604.252)


   

(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

C31H40O12 (604.252)


   

(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 (604.2573)


   

[(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

C31H40O12 (604.252)


   

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

C31H40O12 (604.252)


   

(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 (604.2573)


   

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 (604.2573)


   

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

C31H40O12 (604.252)


   

[(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

C31H40O12 (604.252)


   

1-[(1s,2r,3r,4r)-2-(3,4-dimethoxyphenyl)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

1-[(1s,2r,3r,4r)-2-(3,4-dimethoxyphenyl)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

C33H36N2O9 (604.2421)


   

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

C31H40O12 (604.252)


   

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

C31H40O12 (604.252)


   

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

C31H40O12 (604.252)