Exact Mass: 448.1581

Exact Mass Matches: 448.1581

Found 97 metabolites which its exact mass value is equals to given mass value 448.1581, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

8-O-Acetyl shanzhiside methyl ester

Methyl 7-(acetyloxy)-5-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-4-carboxylic acid

C19H28O12 (448.1581)


   

anacardoside

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


Orcinol gentiobioside is a natural product found in Semecarpus anacardium and Curculigo orchioides with data available. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1]. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1].

   

Barlerin

Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-5-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

C19H28O12 (448.1581)


8-O-Acetyl shanzhiside methyl ester is a natural product found in Barleria lupulina, Phlomoides umbrosa, and other organisms with data available. Barlerin (8-O-Acetyl shanzhiside methyl ester) is an iridoid glucoside isolated from the leaves of Lamiophlomis rotata Kudo, a Chinese folk medicinal plant in Xi-zang. Barlerin (8-O-Acetyl shanzhiside methyl ester) could inhibt NF-κB. Barlerin (8-O-Acetyl shanzhiside methyl ester) is an iridoid glucoside isolated from the leaves of Lamiophlomis rotata Kudo, a Chinese folk medicinal plant in Xi-zang. Barlerin (8-O-Acetyl shanzhiside methyl ester) could inhibt NF-κB.

   

Orcinol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


Orcinol gentiobioside is a natural product found in Semecarpus anacardium and Curculigo orchioides with data available. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1]. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1].

   

6-O-Acetylshanzhiside methyl ester

6-O-Acetylshanzhiside methyl ester

C19H28O12 (448.1581)


   

Ipolamiidoside

Ipolamiidoside

C19H28O12 (448.1581)


   

6,9-Epi-8-O-acetylshanziside methyl ester

(-)-6,9-Epi-8-O-acetylshanziside methyl ester

C19H28O12 (448.1581)


   

(1S)-1-(4-hydroxyphenyl)ethane-1,2-diol 2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|(1S)-1-(4-Hydroxyphenyl)ethane-1,2-diol 2-O-??-D-Apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside

(1S)-1-(4-hydroxyphenyl)ethane-1,2-diol 2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|(1S)-1-(4-Hydroxyphenyl)ethane-1,2-diol 2-O-??-D-Apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside

C19H28O12 (448.1581)


   
   

2-hydroxy-5-(2-hydroxyethyl)phenyl O-alpha-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside|miliusoside A

2-hydroxy-5-(2-hydroxyethyl)phenyl O-alpha-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside|miliusoside A

C19H28O12 (448.1581)


   
   

SCHEMBL13244498

SCHEMBL13244498

C19H28O12 (448.1581)


   

splendoside 10-acetate

splendoside 10-acetate

C19H28O12 (448.1581)


   

8-O-Acetylshanzhiside methyl ester

8-O-Acetylshanzhiside methyl ester

C19H28O12 (448.1581)


   

6,8-diacetylharpagide

6,8-diacetylharpagide

C19H28O12 (448.1581)


   

3,4-Dihydroxyphenylethanol-8-O-[??-D-apiofuranosyl(1鈥樏傗垎2)]-??-D-glucopyranoside

3,4-Dihydroxyphenylethanol-8-O-[??-D-apiofuranosyl(1鈥樏傗垎2)]-??-D-glucopyranoside

C19H28O12 (448.1581)


   

2-O-??-D-Glucopyranosylsalicin

2-O-??-D-Glucopyranosylsalicin

C19H28O12 (448.1581)


   

SCHEMBL15394650

SCHEMBL15394650

C19H28O12 (448.1581)


   

2-(3,4-dihydroxyphenyl)ethyl 6-O-beta-D-xylopyranosyl-beta-D-allopyranoside|2-(3,4-dihydroxyphenyl)ethyl O-beta-D-xylopyranosyl-(1->6)-beta-D-allopyranoside

2-(3,4-dihydroxyphenyl)ethyl 6-O-beta-D-xylopyranosyl-beta-D-allopyranoside|2-(3,4-dihydroxyphenyl)ethyl O-beta-D-xylopyranosyl-(1->6)-beta-D-allopyranoside

C19H28O12 (448.1581)


   

2-(3,4-dihydroxyphenyl)ethyl 2-O-beta-D-xylopyranosyl-beta-D-allopyranoside|rebouoside A

2-(3,4-dihydroxyphenyl)ethyl 2-O-beta-D-xylopyranosyl-beta-D-allopyranoside|rebouoside A

C19H28O12 (448.1581)


   

3-hydroxyl-5-methyphenol-1-O-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranoside]

3-hydroxyl-5-methyphenol-1-O-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranoside]

C19H28O12 (448.1581)


   

1,2-dihydroxy-4-methoxybenzene 1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside|2-hydroxy-4-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

1,2-dihydroxy-4-methoxybenzene 1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside|2-hydroxy-4-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

C19H28O12 (448.1581)


   

4-hydroxy-3-methoxybenzyl 4-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside

4-hydroxy-3-methoxybenzyl 4-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside

C19H28O12 (448.1581)


   

3,4-dihydroxyphenylethano1-8-O-[beta-D-apiofuranosyl(1?2)]-beta-D-glucopyranoside

3,4-dihydroxyphenylethano1-8-O-[beta-D-apiofuranosyl(1?2)]-beta-D-glucopyranoside

C19H28O12 (448.1581)


   

2,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

2,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

C19H28O12 (448.1581)


   

methylursubin

methylursubin

C19H28O12 (448.1581)


   

(-)-4-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyloxy]benzyl alcohol

(-)-4-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyloxy]benzyl alcohol

C19H28O12 (448.1581)


   

3,4-dimethoxyphenol beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenol beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|3,4-Dimethoxyphenol ??-D-apiofuranosyl(1鈥樏傗垎6)-??-D-glucopyranoside|3,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenyl beta-D?apiofuranosyl-(1?6)-beta-D-glucopyranoside

3,4-dimethoxyphenol beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenol beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|3,4-Dimethoxyphenol ??-D-apiofuranosyl(1鈥樏傗垎6)-??-D-glucopyranoside|3,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenyl beta-D?apiofuranosyl-(1?6)-beta-D-glucopyranoside

C19H28O12 (448.1581)


   

3,4-Dihydroxyphenylethanol-8-O-[??-D-apiofuranosyl(1鈥樏傗垎3)]-??-D-glucopyranoside

3,4-Dihydroxyphenylethanol-8-O-[??-D-apiofuranosyl(1鈥樏傗垎3)]-??-D-glucopyranoside

C19H28O12 (448.1581)


   

4-hydroxy-3-methoxybenzyl-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside|bretschneideroside C

4-hydroxy-3-methoxybenzyl-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside|bretschneideroside C

C19H28O12 (448.1581)


   

3,4-dimethoxyphenyl-1-O-beta-D-apiofuranosyl (1->2)-beta-D-glucopyranoside

3,4-dimethoxyphenyl-1-O-beta-D-apiofuranosyl (1->2)-beta-D-glucopyranoside

C19H28O12 (448.1581)


   

2-(3,4-dihydroxyphenyl) ethyl-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|2-(4-hydroxyphenyl)ethyl beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|cuneataside C|osmanthuside H

2-(3,4-dihydroxyphenyl) ethyl-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|2-(4-hydroxyphenyl)ethyl beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|cuneataside C|osmanthuside H

C19H28O12 (448.1581)


   

(+)-4-[alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyloxy]benzyl alcohol

(+)-4-[alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyloxy]benzyl alcohol

C19H28O12 (448.1581)


   

3-methoxy-4-hydroxyphenyl-1-O-alpha-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside|cuneataside D

3-methoxy-4-hydroxyphenyl-1-O-alpha-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside|cuneataside D

C19H28O12 (448.1581)


   

2-(4-hydroxy-3-methoxyphenyl)ethanol 1-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]

2-(4-hydroxy-3-methoxyphenyl)ethanol 1-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]

C19H28O12 (448.1581)


   

2-(3,4-dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

NCGC00180160-02!2-(3,4-dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

4-Methoxyphenyl 4-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranoside

4-Methoxyphenyl 4-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranoside

C19H28O12 (448.1581)


   

2-(3,4-Dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

2-(3,4-Dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside

4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside

C19H28O12 (448.1581)


A natural product found in Acer saccharum.

   

2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol

2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2r,3r,4r,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2r,3r,4r,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2s,3r,4s,5r)-2-{[(2r,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

(2s,3r,4s,5r)-2-{[(2r,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-(4-hydroxy-3-methoxyphenoxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-(4-hydroxy-3-methoxyphenoxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(4-hydroxy-3-methoxyphenyl)methoxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(4-hydroxy-3-methoxyphenyl)methoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-(3-hydroxy-5-methylphenoxy)-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-(3-hydroxy-5-methylphenoxy)-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2r,3s,4s,5r,6s)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-2-(hydroxymethyl)oxane-3,4-diol

(2r,3s,4s,5r,6s)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-2-(hydroxymethyl)oxane-3,4-diol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(1's)-1'-(4-hydroxyphenyl)ethane-1',2'-diol2'-o-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside

NA

C19H28O12 (448.1581)


{"Ingredient_id": "HBIN003180","Ingredient_name": "(1's)-1'-(4-hydroxyphenyl)ethane-1',2'-diol2'-o-\u03b2-d-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "C1C(C(C(O1)OCC2C(C(C(C(O2)OCC(C3=CC=C(C=C3)O)O)O)O)O)O)(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10604","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2'-o-β-d-glucopyranosylsalicin

NA

C19H28O12 (448.1581)


{"Ingredient_id": "HBIN006201","Ingredient_name": "2'-o-\u03b2-d-glucopyranosylsalicin","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8730","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3,4-dihydroxyphenylethanol-8-o-[β-d-apio-furanosyl(1→2)]-β-d-glucopyranoside

NA

C19H28O12 (448.1581)


{"Ingredient_id": "HBIN007416","Ingredient_name": "3,4-dihydroxyphenylethanol-8-o-[\u03b2-d-apio-furanosyl(1\u21922)]-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6075","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3,4-dihydroxyphenylethanol-8-o-[β-d-apio-furanosyl(1→3)]-β-d-glucopyranoside

NA

C19H28O12 (448.1581)


{"Ingredient_id": "HBIN007417","Ingredient_name": "3,4-dihydroxyphenylethanol-8-o-[\u03b2-d-apio-furanosyl(1\u21923)]-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "C1C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6076","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3,4-dimethoxyphenolβ-d-apiofuranosyl(1→6)-β-d-glucopyranoside

NA

C19H28O12 (448.1581)


{"Ingredient_id": "HBIN007435","Ingredient_name": "3,4-dimethoxyphenol\u03b2-d-apiofuranosyl(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "COC1=C(C=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6272","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-O-acetyl shanzhiside methyl ester

6-o-acetylshanzhiside methyl ester

C19H28O12 (448.1581)


{"Ingredient_id": "HBIN012612","Ingredient_name": "6-O-acetyl shanzhiside methyl ester","Alias": "6-o-acetylshanzhiside methyl ester","Ingredient_formula": "C19H28O12","Ingredient_Smile": "CC(=O)OC1CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)(C)O","Ingredient_weight": "448.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35397;510","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "24150641","DrugBank_id": "NA"}

   

8-o-acetyl shanzhiside methyl ester

8-o-acetylshanzhiside methyl ester; 8-o-acetyl shanzhiside methylester

C19H28O12 (448.1581)


{"Ingredient_id": "HBIN013843","Ingredient_name": "8-o-acetyl shanzhiside methyl ester","Alias": "8-o-acetylshanzhiside methyl ester; 8-o-acetyl shanzhiside methylester","Ingredient_formula": "C19H28O12","Ingredient_Smile": "CC(=O)OC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)C","Ingredient_weight": "448.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30573;24954;511","TCMSP_id": "NA","TCM_ID_id": "7335","PubChem_id": "138114877","DrugBank_id": "NA"}

   

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

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

C19H28O12 (448.1581)


   

methyl 7-(acetyloxy)-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl 7-(acetyloxy)-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

C19H28O12 (448.1581)


   

(2r,3r,4s,5s,6r)-2-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(3-hydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(3-hydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-3,4,5-triol

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-(3,4-dimethoxyphenoxy)-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-(3,4-dimethoxyphenoxy)-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-2-(hydroxymethyl)oxane-3,4-diol

5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-2-(hydroxymethyl)oxane-3,4-diol

C19H28O12 (448.1581)


   

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]oxane-3,4,5-triol

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol

(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-(4-hydroxy-3-methoxyphenoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

2-(4-hydroxy-3-methoxyphenoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-(2-hydroxy-4-methoxyphenoxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-(2-hydroxy-4-methoxyphenoxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-(3,4-dimethoxyphenoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

2-(3,4-dimethoxyphenoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(4-hydroxy-3-methoxyphenyl)methoxy]oxane-3,4,5-triol

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(4-hydroxy-3-methoxyphenyl)methoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2,4-dimethoxyphenoxy)oxane-3,4,5-triol

(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2,4-dimethoxyphenoxy)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

2-(3-hydroxy-5-methylphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

2-(3-hydroxy-5-methylphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2r,3s,4s,5r,6s)-2-({[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6s)-2-({[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2r,3r,4s,5r,6s)-2-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol

(2r,3r,4s,5r,6s)-2-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2s,3r,4s,5r)-2-{[(2r,3r,4r,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

(2s,3r,4s,5r)-2-{[(2r,3r,4r,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2,4-dimethoxyphenoxy)oxane-3,4,5-triol

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2,4-dimethoxyphenoxy)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(r)-hydroxy(phenyl)methoxy]oxan-2-yl]methoxy}oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(r)-hydroxy(phenyl)methoxy]oxan-2-yl]methoxy}oxane-3,4,5-triol

C19H28O12 (448.1581)


   

(2s,3r,4s,5s,6r)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C19H28O12 (448.1581)


   

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

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

C19H28O12 (448.1581)


   

(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


   

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol

C19H28O12 (448.1581)