Exact Mass: 888.3065167999999

Exact Mass Matches: 888.3065167999999

Found 64 metabolites which its exact mass value is equals to given mass value 888.3065167999999, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Rhamnocitrin 3-glucoside-4-(3-dihydrophaseoylglucoside)

3,4,5-Trihydroxy-7-methoxyflavone 3-glucoside-4- (3"-dihydrophaseoylglucoside)

C43H52O20 (888.3051792000001)


   
   

Rhamnocitrin 3-glucoside-4-(2-dihydrophaseoylglucoside)

Rhamnocitrin 3-glucoside-4-(2-dihydrophaseoylglucoside)

C43H52O20 (888.3051792000001)


   

Dactylorhin A

Dactylorhin A

C40H56O22 (888.3263076000001)


Dactylorhin A, a succinate derivative ester, is isolated from rhizomes of Gymnadenia conopsea. Dactylorhin A exhibits moderate inhibitory effects on NO production effects in RAW 264.7 macrophage cells[1][2]. Dactylorhin A, a succinate derivative ester, is isolated from rhizomes of Gymnadenia conopsea. Dactylorhin A exhibits moderate inhibitory effects on NO production effects in RAW 264.7 macrophage cells[1][2].

   
   
   
   

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   
   
   
   
   

DactylorhinA

Bis(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl) (R)-2-isobutyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)succinate

C40H56O22 (888.3263076000001)


Dactylorhin A is a natural product found in Dactylorhiza hatagirea, Gymnadenia conopsea, and Bletilla striata with data available. Dactylorhin A, a succinate derivative ester, is isolated from rhizomes of Gymnadenia conopsea. Dactylorhin A exhibits moderate inhibitory effects on NO production effects in RAW 264.7 macrophage cells[1][2]. Dactylorhin A, a succinate derivative ester, is isolated from rhizomes of Gymnadenia conopsea. Dactylorhin A exhibits moderate inhibitory effects on NO production effects in RAW 264.7 macrophage cells[1][2].

   
   
   

bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-(2-methylpropyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioate

NCGC00180448-02!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-(2-methylpropyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioate

C40H56O22 (888.3263076000001)


   

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

NCGC00180445-02![(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_major

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_major

C39H52O23 (888.2899242000001)


   

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_76.0\\%

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_76.0\\%

C39H52O23 (888.2899242000001)


   

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_86.5\\%

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_86.5\\%

C39H52O23 (888.2899242000001)


   

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_10.4\\%

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_10.4\\%

C39H52O23 (888.2899242000001)


   

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_49.0\\%

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_49.0\\%

C39H52O23 (888.2899242000001)


   

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_57.8\\%

[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate_57.8\\%

C39H52O23 (888.2899242000001)


   
   

4,4-[1,3,4-oxadiazole-2,5-diylbis(4,1-phenyleneazo)] bis[n-(2-ethoxyphenyl)3-hydroxy-2-naphthalenecarboxamide

4,4-[1,3,4-oxadiazole-2,5-diylbis(4,1-phenyleneazo)] bis[n-(2-ethoxyphenyl)3-hydroxy-2-naphthalenecarboxamide

C52H40N8O7 (888.3019810000001)


   
   

Pimodivir hydrochloride

Pimodivir hydrochloride

C40H42Cl2F4N10O5 (888.2652670000001)


C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

3-[(1R,2S,3S,4Z,7S,11S,17R,18R,19R)-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-3,10,15,18,19,21-hexahydrocorrin-3-yl]propanoate

3-[(1R,2S,3S,4Z,7S,11S,17R,18R,19R)-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-3,10,15,18,19,21-hexahydrocorrin-3-yl]propanoate

C44H48N4O16-8 (888.3065167999999)


   

Helioside A

Helioside A

C39H52O23 (888.2899242000001)


A natural product found in Veronica lavaudiana.

   

5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol

5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol

C56H40O11 (888.257049)


   

[(2S,5S,6S)-4,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-3-yl] (2Z,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

[(2S,5S,6S)-4,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-3-yl] (2Z,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

C43H52O20 (888.3051792000001)


   

MD-224

MD-224

C48H43Cl2FN6O6 (888.260501)


MD-224 is a first-in-class and highly potent small-molecule human murine double minute 2 (MDM2) degrader based on the proteolysistargeting chimera (PROTAC) concept. MD-224 consists of ligands for Cereblon and MDM2. MD-224 induces rapid degradation of MDM2 at concentrations <1 nM in human leukemia cells, and achieves an IC50 value of 1.5 nM in inhibition of growth of RS4;11 cells. MD-224 has the potential to be a new class of anticancer agent[1]. MD-224 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

(1s,2r,3s,4r,5r,8r,9s,10s,12r,14r,15s,16s,18r,19s,20r,22r)-3,22-bis(acetyloxy)-19-[(1s)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-5-(furan-3-yl)-2,16-dihydroxy-12,18,20-trimethyl-8-[(2-methylpropanoyl)oxy]-7-oxo-6,11,13,21-tetraoxaoctacyclo[10.8.1.1⁴,⁹.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]tricosan-15-yl 2-methylpropanoate

(1s,2r,3s,4r,5r,8r,9s,10s,12r,14r,15s,16s,18r,19s,20r,22r)-3,22-bis(acetyloxy)-19-[(1s)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-5-(furan-3-yl)-2,16-dihydroxy-12,18,20-trimethyl-8-[(2-methylpropanoyl)oxy]-7-oxo-6,11,13,21-tetraoxaoctacyclo[10.8.1.1⁴,⁹.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]tricosan-15-yl 2-methylpropanoate

C43H52O20 (888.3051792000001)


   

(2r,3s,4r,5r,6r)-4-{[(2r,3r,4r,5r,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5,6-trihydroxyoxan-2-yl]methyl}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2r,3s,4r,5r,6r)-4-{[(2r,3r,4r,5r,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5,6-trihydroxyoxan-2-yl]methyl}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl (2z,4e)-5-[(1r,3s,5r,8s)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl (2z,4e)-5-[(1r,3s,5r,8s)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

C43H52O20 (888.3051792000001)


   

4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5,6-trihydroxyoxan-2-yl)methyl]-2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5,6-trihydroxyoxan-2-yl)methyl]-2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

(2r,3r,4r,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-{[(3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2r,3r,4r,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-{[(3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

[3,4,5-tris(acetyloxy)-6-{[5-(acetyloxy)-7-methyl-7-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}oxan-2-yl]methyl acetate

[3,4,5-tris(acetyloxy)-6-{[5-(acetyloxy)-7-methyl-7-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}oxan-2-yl]methyl acetate

C39H52O23 (888.2899242000001)


   

ballotetroside

NA

C39H52O23 (888.2899242000001)


{"Ingredient_id": "HBIN017562","Ingredient_name": "ballotetroside","Alias": "NA","Ingredient_formula": "C39H52O23","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)OC6C(C(C(CO6)O)O)O)O)O","Ingredient_weight": "888.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2134","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44584314","DrugBank_id": "NA"}

   

(2r,3r,4r,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2r,3r,4r,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

(2r,3r,4r,5r,6r)-4-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2r,3r,4r,5r,6r)-4-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

[(2r,3s,4s,5r,6r)-6-{[(1s,4ar,5s,7s,7as)-5-(acetyloxy)-7-methyl-1-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]oxy}-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate

[(2r,3s,4s,5r,6r)-6-{[(1s,4ar,5s,7s,7as)-5-(acetyloxy)-7-methyl-1-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]oxy}-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate

C39H52O23 (888.2899242000001)


   

(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2z,4e)-5-[(1r,3s,5s,8s)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2z,4e)-5-[(1r,3s,5s,8s)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

C43H52O20 (888.3051792000001)


   

(2s,3s,4s,5r,6s)-3,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2z,4e)-5-[(1r,3s,5r,8s)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

(2s,3s,4s,5r,6s)-3,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2z,4e)-5-[(1r,3s,5r,8s)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

C43H52O20 (888.3051792000001)


   

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

3,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (4e)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoate

3,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (4e)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoate

C43H52O20 (888.3051792000001)


   

(2s,3r,4r,5s,6s)-4,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl (2z,4e)-5-[(1r,3s,5r,8s)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

(2s,3r,4r,5s,6s)-4,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl (2z,4e)-5-[(1r,3s,5r,8s)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

C43H52O20 (888.3051792000001)


   

(2r,3s,4r,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-{[(2s,3s,4r,5r,6r)-4,5,6-trihydroxy-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl}oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2r,3s,4r,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-{[(2s,3s,4r,5r,6r)-4,5,6-trihydroxy-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl}oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

(s)-furan-3-yl[(1r,2r,3r,4r,5s,6e,9r,10r,12r,14r,15s,16s,17r,18s,19s)-2,3,16-tris(acetyloxy)-19-[(acetyloxy)methyl]-15-hydroxy-6-(1-hydroxy-2-methylpropylidene)-18-(2-methoxy-2-oxoethyl)-4,12,17-trimethyl-7-oxo-8,11,13,20-tetraoxaheptacyclo[10.7.1.1¹⁴,¹⁷.0¹,¹⁰.0⁵,¹⁰.0⁹,¹⁵.0¹⁴,¹⁹]henicosan-4-yl]methyl acetate

(s)-furan-3-yl[(1r,2r,3r,4r,5s,6e,9r,10r,12r,14r,15s,16s,17r,18s,19s)-2,3,16-tris(acetyloxy)-19-[(acetyloxy)methyl]-15-hydroxy-6-(1-hydroxy-2-methylpropylidene)-18-(2-methoxy-2-oxoethyl)-4,12,17-trimethyl-7-oxo-8,11,13,20-tetraoxaheptacyclo[10.7.1.1¹⁴,¹⁷.0¹,¹⁰.0⁵,¹⁰.0⁹,¹⁵.0¹⁴,¹⁹]henicosan-4-yl]methyl acetate

C43H52O20 (888.3051792000001)


   

(1s,3s,13s,14r,17s,18s,19s,20r,21s,22r,24r,25s)-21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl pyridine-3-carboxylate

(1s,3s,13s,14r,17s,18s,19s,20r,21s,22r,24r,25s)-21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl pyridine-3-carboxylate

C45H48N2O17 (888.2952838000001)


   

1,4-bis[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] (2r)-2-(2-methylpropyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

1,4-bis[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] (2r)-2-(2-methylpropyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

C40H56O22 (888.3263076000001)


   

1,4-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] (2r)-2-(2-methylpropyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

1,4-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] (2r)-2-(2-methylpropyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

C40H56O22 (888.3263076000001)


   

(2r,3r,4r,5r,6r)-4-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2r,3r,4r,5r,6r)-4-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C39H52O23 (888.2899242000001)


   

4,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl (4e)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoate

4,5-dihydroxy-2-[4-(5-hydroxy-7-methoxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl (4e)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoate

C43H52O20 (888.3051792000001)


   

21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl pyridine-3-carboxylate

21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl pyridine-3-carboxylate

C45H48N2O17 (888.2952838000001)


   

1,4-bis[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] (2s)-2-[(2s)-butan-2-yl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

1,4-bis[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] (2s)-2-[(2s)-butan-2-yl]-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

C40H56O22 (888.3263076000001)


   

1,4-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 2-(2-methylpropyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

1,4-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 2-(2-methylpropyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

C40H56O22 (888.3263076000001)


   

(1s,3r,13r,14s,17s,18r,19r,20s,21s,22r,23r,24r,25s)-21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl pyridine-3-carboxylate

(1s,3r,13r,14s,17s,18r,19r,20s,21s,22r,23r,24r,25s)-21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl pyridine-3-carboxylate

C45H48N2O17 (888.2952838000001)


   

furan-3-yl[2,3,16-tris(acetyloxy)-19-[(acetyloxy)methyl]-15-hydroxy-6-(1-hydroxy-2-methylpropylidene)-18-(2-methoxy-2-oxoethyl)-4,12,17-trimethyl-7-oxo-8,11,13,20-tetraoxaheptacyclo[10.7.1.1¹⁴,¹⁷.0¹,¹⁰.0⁵,¹⁰.0⁹,¹⁵.0¹⁴,¹⁹]henicosan-4-yl]methyl acetate

furan-3-yl[2,3,16-tris(acetyloxy)-19-[(acetyloxy)methyl]-15-hydroxy-6-(1-hydroxy-2-methylpropylidene)-18-(2-methoxy-2-oxoethyl)-4,12,17-trimethyl-7-oxo-8,11,13,20-tetraoxaheptacyclo[10.7.1.1¹⁴,¹⁷.0¹,¹⁰.0⁵,¹⁰.0⁹,¹⁵.0¹⁴,¹⁹]henicosan-4-yl]methyl acetate

C43H52O20 (888.3051792000001)