Exact Mass: 722.2421882000001
Exact Mass Matches: 722.2421882000001
Found 44 metabolites which its exact mass value is equals to given mass value 722.2421882000001,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Citbismine D
12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one
C40H38N2O11 (722.2475478000001)
Citbismine D is found in citrus. Citbismine D is an alkaloid from roots of Marsh grapefruit (Citrus paradisi). Alkaloid from roots of Marsh grapefruit (Citrus paradisi). Citbismine D is found in citrus.
[(2S,3S,4R,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-diacetyloxy-2-methyloxan-3-yl] (E)-3-phenylprop-2-enoate
[(2S,3S,4R,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-diacetyloxy-2-methyloxan-3-yl] (E)-3-phenylprop-2-enoate
[(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-diacetyloxy-6-methyloxan-3-yl] (E)-3-phenylprop-2-enoate
[(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-diacetyloxy-6-methyloxan-3-yl] (E)-3-phenylprop-2-enoate
C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,3-Di-O-acetyl-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside
NCGC00169152-03_C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,3-Di-O-acetyl-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside
C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,4-Di-O-acetyl-6-deoxy-3-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside
NCGC00179976-03_C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,4-Di-O-acetyl-6-deoxy-3-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside
C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({3,4-Di-O-acetyl-6-deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside
NCGC00169427-03_C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({3,4-Di-O-acetyl-6-deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside
[(2S,3S,4R,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-diacetyloxy-2-methyloxan-3-yl] (E)-3-phenylprop-2-enoate_6.1\\%
[(2S,3S,4R,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-diacetyloxy-2-methyloxan-3-yl] (E)-3-phenylprop-2-enoate_6.1\\%
[(2S,3S,4R,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-diacetyloxy-2-methyloxan-3-yl] (E)-3-phenylprop-2-enoate_major
[(2S,3S,4R,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-diacetyloxy-2-methyloxan-3-yl] (E)-3-phenylprop-2-enoate_major
Citbismine D
12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one
C40H38N2O11 (722.2475478000001)
2-[3-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-benzo[e]indol-2-ylidene]-propenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium hydroxide, inner salt, sodium salt
2-[3-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-benzo[e]indol-2-ylidene]-propenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium hydroxide, inner salt, sodium salt
C39H43N2NaO6S2 (722.2460098000001)
5-[(1S,2R)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-1-yl]-6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
5-[(1S,2R)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-1-yl]-6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
C40H38N2O11 (722.2475478000001)
(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-2-{[(1s,2s,4s,5s,6s,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2e)-3-phenylprop-2-enoate
(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-2-{[(1s,2s,4s,5s,6s,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2e)-3-phenylprop-2-enoate
bisacutifolone a p-bromobenzoate
NA
{"Ingredient_id": "HBIN018597","Ingredient_name": "bisacutifolone a p-bromobenzoate","Alias": "NA","Ingredient_formula": "C39H47BrO8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2430","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisacutifolone b p-bromobenzoate
NA
{"Ingredient_id": "HBIN018599","Ingredient_name": "bisacutifolone b p-bromobenzoate","Alias": "NA","Ingredient_formula": "C39H47BrO8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2433","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(10r)-10,13-bis[(2s)-butan-2-yl]-12,14-dihydroxy-11-oxo-6-[2,3,4'-tris(acetyloxy)-5,6-dihydroxy-[1,1'-biphenyl]-4-yl]-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate
(10r)-10,13-bis[(2s)-butan-2-yl]-12,14-dihydroxy-11-oxo-6-[2,3,4'-tris(acetyloxy)-5,6-dihydroxy-[1,1'-biphenyl]-4-yl]-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate
(10r)-10-[(2r)-butan-2-yl]-13-[(2s)-butan-2-yl]-12,14-dihydroxy-11-oxo-6-[2,3,4'-tris(acetyloxy)-5,6-dihydroxy-[1,1'-biphenyl]-4-yl]-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate
(10r)-10-[(2r)-butan-2-yl]-13-[(2s)-butan-2-yl]-12,14-dihydroxy-11-oxo-6-[2,3,4'-tris(acetyloxy)-5,6-dihydroxy-[1,1'-biphenyl]-4-yl]-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate
[(1s,2s,4s,5s,6r,10s)-5-{[(2s,3r,4r,5s,6s)-3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl (2e)-3-phenylprop-2-enoate
[(1s,2s,4s,5s,6r,10s)-5-{[(2s,3r,4r,5s,6s)-3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl (2e)-3-phenylprop-2-enoate
(2r,3r,4s,5r,6r)-5-(acetyloxy)-4-{[(2s,3r,4s,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(2r,3r,4s,5r,6r)-5-(acetyloxy)-4-{[(2s,3r,4s,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3,5-bis(acetyloxy)-2-{[2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl 3-phenylprop-2-enoate
3,5-bis(acetyloxy)-2-{[2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl 3-phenylprop-2-enoate
(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-2-{[(1s,2s,4s,5s,6r,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2e)-3-phenylprop-2-enoate
(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-2-{[(1s,2s,4s,5s,6r,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2e)-3-phenylprop-2-enoate
12-[(1s,2r)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one
12-[(1s,2r)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one
C40H38N2O11 (722.2475478000001)
(2s,3s,4r,5s,6r)-3,5-bis(acetyloxy)-2-{[(1r,2s,4s,5r,6s,10r)-2-(hydroxymethyl)-10-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2e)-3-phenylprop-2-enoate
(2s,3s,4r,5s,6r)-3,5-bis(acetyloxy)-2-{[(1r,2s,4s,5r,6s,10r)-2-(hydroxymethyl)-10-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2e)-3-phenylprop-2-enoate
(1s,10r)-10,13-bis[(2s)-butan-2-yl]-12,14-dihydroxy-11-oxo-6-[2,3,4'-tris(acetyloxy)-5,6-dihydroxy-[1,1'-biphenyl]-4-yl]-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate
(1s,10r)-10,13-bis[(2s)-butan-2-yl]-12,14-dihydroxy-11-oxo-6-[2,3,4'-tris(acetyloxy)-5,6-dihydroxy-[1,1'-biphenyl]-4-yl]-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate
3,4'-bis(acetyloxy)-4-{2-[(2s)-butan-2-yl]-2-[(2e,3s)-n-hydroxy-2-(n-hydroxyimino)-3-methylpentanamido]-3-oxo-1,4-benzodioxin-6-yl}-5,6-dihydroxy-[1,1'-biphenyl]-2-yl acetate
3,4'-bis(acetyloxy)-4-{2-[(2s)-butan-2-yl]-2-[(2e,3s)-n-hydroxy-2-(n-hydroxyimino)-3-methylpentanamido]-3-oxo-1,4-benzodioxin-6-yl}-5,6-dihydroxy-[1,1'-biphenyl]-2-yl acetate
3,5-bis(acetyloxy)-2-{[2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2e)-3-phenylprop-2-enoate
3,5-bis(acetyloxy)-2-{[2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2e)-3-phenylprop-2-enoate
(1r,10r)-10-[(2r)-butan-2-yl]-13-[(2s)-butan-2-yl]-12,14-dihydroxy-11-oxo-6-[2,3,4'-tris(acetyloxy)-5,6-dihydroxy-[1,1'-biphenyl]-4-yl]-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate
(1r,10r)-10-[(2r)-butan-2-yl]-13-[(2s)-butan-2-yl]-12,14-dihydroxy-11-oxo-6-[2,3,4'-tris(acetyloxy)-5,6-dihydroxy-[1,1'-biphenyl]-4-yl]-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate
5-(acetyloxy)-4-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
5-(acetyloxy)-4-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3,4'-bis(acetyloxy)-5,6-dihydroxy-4-{2-[n-hydroxy-2-(n-hydroxyimino)-3-methylpentanamido]-3-oxo-2-(sec-butyl)-1,4-benzodioxin-6-yl}-[1,1'-biphenyl]-2-yl acetate
3,4'-bis(acetyloxy)-5,6-dihydroxy-4-{2-[n-hydroxy-2-(n-hydroxyimino)-3-methylpentanamido]-3-oxo-2-(sec-butyl)-1,4-benzodioxin-6-yl}-[1,1'-biphenyl]-2-yl acetate