Exact Mass: 862.2996556

Exact Mass Matches: 862.2996556

Found 34 metabolites which its exact mass value is equals to given mass value 862.2996556, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sirohydrochlorin

C42H46N4O16 (862.2908676)

Bimosiamose

2-(5-{6-[3-(carboxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1-biphenyl]-3-yl]hexyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1-biphenyl]-3-yl)acetic acid

C46H54O16 (862.3411684)

Swietenitin L

C42H54O19 (862.3259134)

Smiglaside C (Not validated) + 1Acetyl

C40H46O21 (862.2531466)

Annotation level-3

C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent

GAS CWPS Pentasaccharide

C34H58N2O23 (862.3430198000001)

LPIM2 14:3

C35H59O22P (862.3235444)

(1r,2r,5s,9s,13s,14s,18s)-7-(acetyloxy)-14-[(r)-(acetyloxy)(furan-3-yl)methyl]-3,16-dihydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-8-(propanoyloxy)-10,12,17-trioxahexacyclo[9.5.1.1²,⁵.0¹,⁹.0³,⁷.0⁹,¹³]octadecan-6-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate

(1r,2r,5s,9s,13s,14s,18s)-7-(acetyloxy)-14-[(r)-(acetyloxy)(furan-3-yl)methyl]-3,16-dihydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-8-(propanoyloxy)-10,12,17-trioxahexacyclo[9.5.1.1²,⁵.0¹,⁹.0³,⁷.0⁹,¹³]octadecan-6-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate

C42H54O19 (862.3259134)

{28-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18,21,24,26,29,32,35-heptahydroxy-31-isopropyl-23-methyl-15-oxo-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]hexatriaconta-3(11),4,6,8,21,24,26,29,32,35-decaen-34-yl}(hydroxy)acetic acid

{28-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18,21,24,26,29,32,35-heptahydroxy-31-isopropyl-23-methyl-15-oxo-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]hexatriaconta-3(11),4,6,8,21,24,26,29,32,35-decaen-34-yl}(hydroxy)acetic acid

C37H50N8O14S (862.3167040000001)

(2r,3s,4r,5r,6s)-6-{[(6s,7r,8s,16s,17r,18s)-7,17-diethenyl-2,12-dioxo-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9,13,19-tetraoxatricyclo[14.4.0.0⁶,¹¹]icosa-1(20),10-dien-8-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

(2r,3s,4r,5r,6s)-6-{[(6s,7r,8s,16s,17r,18s)-7,17-diethenyl-2,12-dioxo-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9,13,19-tetraoxatricyclo[14.4.0.0⁶,¹¹]icosa-1(20),10-dien-8-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

C41H50O20 (862.28953)

4'-o-β-d-glucosyl-9-o-(6''-deoxysaccharosyl)olivil

C38H54O22 (862.3106584)

{"Ingredient_id": "HBIN010754","Ingredient_name": "4'-o-\u03b2-d-glucosyl-9-o-(6''-deoxysaccharosyl)olivil","Alias": "NA","Ingredient_formula": "C38H54O22","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8753","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-o-α-l-(2''-o-,3''-o-dibenzoyl,4''-o-cis-p-coumaroyl)rhamnopyranosylcatalpol

C44H46O18 (862.2684016000001)

{"Ingredient_id": "HBIN012622","Ingredient_name": "6-o-\u03b1-l-(2''-o-,3''-o-dibenzoyl,4''-o-cis-p-coumaroyl)rhamnopyranosylcatalpol","Alias": "NA","Ingredient_formula": "C44H46O18","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C=CC8=CC=C(C=C8)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5380","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-o-α-l-(2''-o-,3''-o-dibenzoyl,4''-o-trans-p-coumaroyl)rhamnopyranosylcatalpol

C44H46O18 (862.2684016000001)

{"Ingredient_id": "HBIN012623","Ingredient_name": "6-o-\u03b1-l-(2''-o-,3''-o-dibenzoyl,4''-o-trans-p-coumaroyl)rhamnopyranosylcatalpol","Alias": "NA","Ingredient_formula": "C44H46O18","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C=CC8=CC=C(C=C8)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5381","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2-butanoyl-6-{[3-butanoyl-5-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-2,4,6-trihydroxyphenyl]methyl}-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

2-butanoyl-6-{[3-butanoyl-5-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-2,4,6-trihydroxyphenyl]methyl}-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

C46H54O16 (862.3411684)

methyl 2-(acetyloxy)-2-[1,9,10,17-tetrakis(acetyloxy)-8-[(acetyloxy)(furan-3-yl)methyl]-11,16-dihydroxy-5-isopropyl-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-13-yl]acetate

methyl 2-(acetyloxy)-2-[1,9,10,17-tetrakis(acetyloxy)-8-[(acetyloxy)(furan-3-yl)methyl]-11,16-dihydroxy-5-isopropyl-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-13-yl]acetate

C42H54O19 (862.3259134)

(1s,2s,5s,6r,7e,11s,15s,16s,19s,22e,24r,25s)-6,16,24-trihydroxy-1-[(3e,5r,6s,9r,14s)-5-hydroxy-6,14-dimethyl-2,8,11-trioxo-1,7-dioxacyclotetradec-3-en-9-yl]-5,11,19,25-tetramethyl-4,10,20,26-tetraoxatricyclo[14.11.1.0²,¹⁵]octacosa-7,22-diene-3,9,14,21,27,28-hexone

(1s,2s,5s,6r,7e,11s,15s,16s,19s,22e,24r,25s)-6,16,24-trihydroxy-1-[(3e,5r,6s,9r,14s)-5-hydroxy-6,14-dimethyl-2,8,11-trioxo-1,7-dioxacyclotetradec-3-en-9-yl]-5,11,19,25-tetramethyl-4,10,20,26-tetraoxatricyclo[14.11.1.0²,¹⁵]octacosa-7,22-diene-3,9,14,21,27,28-hexone

C42H54O19 (862.3259134)

1,10,17-tris(acetyloxy)-8-[(acetyloxy)(furan-3-yl)methyl]-12-[(acetyloxy)methyl]-5-ethyl-11,16-dihydroxy-13-(2-methoxy-2-oxoethyl)-8,14-dimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-9-yl propanoate

1,10,17-tris(acetyloxy)-8-[(acetyloxy)(furan-3-yl)methyl]-12-[(acetyloxy)methyl]-5-ethyl-11,16-dihydroxy-13-(2-methoxy-2-oxoethyl)-8,14-dimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-9-yl propanoate

C42H54O19 (862.3259134)

6,16,24-trihydroxy-1-(5-hydroxy-6,14-dimethyl-2,8,11-trioxo-1,7-dioxacyclotetradec-3-en-9-yl)-5,11,19,25-tetramethyl-4,10,20,26-tetraoxatricyclo[14.11.1.0²,¹⁵]octacosa-7,22-diene-3,9,14,21,27,28-hexone

6,16,24-trihydroxy-1-(5-hydroxy-6,14-dimethyl-2,8,11-trioxo-1,7-dioxacyclotetradec-3-en-9-yl)-5,11,19,25-tetramethyl-4,10,20,26-tetraoxatricyclo[14.11.1.0²,¹⁵]octacosa-7,22-diene-3,9,14,21,27,28-hexone

C42H54O19 (862.3259134)

{5-[(acetyloxy)methyl]-5-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

{5-[(acetyloxy)methyl]-5-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C40H46O21 (862.2531466)

[(2r,3r,4s,5s)-5-[(acetyloxy)methyl]-5-{[(2r,3r,4s,5s,6r)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

[(2r,3r,4s,5s)-5-[(acetyloxy)methyl]-5-{[(2r,3r,4s,5s,6r)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C40H46O21 (862.2531466)

methyl (2r)-2-(acetyloxy)-2-[(1s,2s,3r,5r,7r,8r,9r,10r,11r,12r,13s,14r,16r,17s)-1,9,10,17-tetrakis(acetyloxy)-8-[(s)-(acetyloxy)(furan-3-yl)methyl]-11,16-dihydroxy-5-isopropyl-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-13-yl]acetate

methyl (2r)-2-(acetyloxy)-2-[(1s,2s,3r,5r,7r,8r,9r,10r,11r,12r,13s,14r,16r,17s)-1,9,10,17-tetrakis(acetyloxy)-8-[(s)-(acetyloxy)(furan-3-yl)methyl]-11,16-dihydroxy-5-isopropyl-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-13-yl]acetate

C42H54O19 (862.3259134)

2-butanoyl-4-{[3-butanoyl-5-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-2,4,6-trihydroxyphenyl]methyl}-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

2-butanoyl-4-{[3-butanoyl-5-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-2,4,6-trihydroxyphenyl]methyl}-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

C46H54O16 (862.3411684)

(1r,2s,3s,5s,6s,7r,8r,9s,11r,13s,14r,16r,18r)-7-(acetyloxy)-14-[(s)-(acetyloxy)(furan-3-yl)methyl]-3,16-dihydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-8-(propanoyloxy)-10,12,17-trioxahexacyclo[9.5.1.1²,⁵.0¹,⁹.0³,⁷.0⁹,¹³]octadecan-6-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate

(1r,2s,3s,5s,6s,7r,8r,9s,11r,13s,14r,16r,18r)-7-(acetyloxy)-14-[(s)-(acetyloxy)(furan-3-yl)methyl]-3,16-dihydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-8-(propanoyloxy)-10,12,17-trioxahexacyclo[9.5.1.1²,⁵.0¹,⁹.0³,⁷.0⁹,¹³]octadecan-6-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate

C42H54O19 (862.3259134)

3-[(4s,5s,19s,20s)-10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5,20-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,12,14,16(22),17-nonaen-4-yl]propanoic acid

3-[(4s,5s,19s,20s)-10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5,20-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,12,14,16(22),17-nonaen-4-yl]propanoic acid

C42H46N4O16 (862.2908676)

(2r,3s,4r,5r,6s)-6-{[(6s,7r,8s,16s,17r,18s)-7,17-diethenyl-2,12-dioxo-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9,13,19-tetraoxatricyclo[14.4.0.0⁶,¹¹]icosa-1(20),10-dien-8-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C41H50O20 (862.28953)

(1s,2s,3r,5s,7r,8r,9r,10r,11r,12s,13s,14r,16r,17s)-1,10,17-tris(acetyloxy)-8-[(s)-(acetyloxy)(furan-3-yl)methyl]-12-[(acetyloxy)methyl]-5-ethyl-11,16-dihydroxy-13-(2-methoxy-2-oxoethyl)-8,14-dimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-9-yl propanoate

(1s,2s,3r,5s,7r,8r,9r,10r,11r,12s,13s,14r,16r,17s)-1,10,17-tris(acetyloxy)-8-[(s)-(acetyloxy)(furan-3-yl)methyl]-12-[(acetyloxy)methyl]-5-ethyl-11,16-dihydroxy-13-(2-methoxy-2-oxoethyl)-8,14-dimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-9-yl propanoate

C42H54O19 (862.3259134)