Exact Mass: 681.2686164

Exact Mass Matches: 681.2686164

Found 55 metabolites which its exact mass value is equals to given mass value 681.2686164, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Neoacrimarine A

1-hydroxy-4-[9-hydroxy-5,5-dimethyl-2,12-bis(2-methylbut-3-en-2-yl)-13-oxo-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),9,11-tetraen-7-yl]-3,5,6-trimethoxy-9,10-dihydroacridin-9-one

C40H43NO9 (681.2937668)

Neoacrimarine A is found in citrus. Neoacrimarine A is an alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisii) x Dancy tangerine (Citrus tangerina)] (Rutaceae). Alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisii) x Dancy tangerine (Citrus tangerina)] (Rutaceae). Neoacrimarine A is found in citrus.

Gln Trp Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C36H39N7O7 (681.2910824)

Gln Trp Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C36H39N7O7 (681.2910824)

Gln Tyr Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C36H39N7O7 (681.2910824)

Trp Gln Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C36H39N7O7 (681.2910824)

Trp Gln Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C36H39N7O7 (681.2910824)

Trp Trp Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C36H39N7O7 (681.2910824)

Trp Trp Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C36H39N7O7 (681.2910824)

Trp Tyr Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C36H39N7O7 (681.2910824)

Trp Tyr Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C36H39N7O7 (681.2910824)

Tyr Gln Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C36H39N7O7 (681.2910824)

Tyr Trp Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C36H39N7O7 (681.2910824)

Tyr Trp Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C36H39N7O7 (681.2910824)

KDWSF

Lys Asp Trp Ser Phe

C33H43N7O9 (681.3122108)

Neoacrimarine A

1-hydroxy-4-[9-hydroxy-5,5-dimethyl-2,12-bis(2-methylbut-3-en-2-yl)-13-oxo-4,14-dioxatricyclo[8.4.0.0^{3,8}]tetradeca-1,3(8),9,11-tetraen-7-yl]-3,5,6-trimethoxy-9,10-dihydroacridin-9-one

C40H43NO9 (681.2937668)

Dihydrostreptomycin sulphate

C21H43N7O16S (681.2486878000001)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

Indimilast

C37H40FN7O3S (681.2897222)

(2R,6S,12Z,13aS,14aR,16aS)-6-Amino-N-(cyclopropylsulfonyl)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-5,16-dioxo-2-(6-phenanthridinyloxy)-cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide hydrochloride (1:1)

(2R,6S,12Z,13aS,14aR,16aS)-6-Amino-N-(cyclopropylsulfonyl)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-5,16-dioxo-2-(6-phenanthridinyloxy)-cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide hydrochloride (1:1)

C34H39N5O6S.HCl (681.2387689999999)

(S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][[trisisopropylsilyl]oxy]methyl]pyrrolidine

C30H35F12NOSi (681.2296163999999)

2-(Acetylamino)-2-deoxy-3,4-O-isopropylidene-6-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-D-galactopyranoside Benzyl Ether

C32H43NO15 (681.2632568)

6,7-Di-O-nicotinoylscutebarbatine G, (rel)

C38H39N3O9 (681.2686164)

A natural product found in Scutellaria barbata.

N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide

C34H34F3N5O5S (681.223263)

(3R,3R,4S,5R)-5-[2-[4-(2-hydroxyethyl)-1-triazolyl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyl-1-[[3-(2-oxo-3-oxazolidinyl)phenyl]methyl]-2-spiro[indole-3,2-oxolane]one

C37H43N5O6Si (681.2982458000001)

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl}-3-hydroxy-2-methylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl}-3-hydroxy-2-methylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C30H39N3O13S (681.2203484)

PS 18:4/9:4;O2

C33H48NO12P (681.2913977999999)

PS 20:5/7:3;O2

C33H48NO12P (681.2913977999999)

PS 27:8;O2

C33H48NO12P (681.2913977999999)

Bisoprolol (hemifumarate)

C18H31NO4.1/2C4H4O4 (681.236255)

Bisoprolol hemifumarate is a potent, selective and orally active β1-adrenergic receptor blocker with little activity on β2-receptor. Bisoprolol hemifumarate has the potential for hypertension, coronary artery disease and stable ventricular dysfunction research[1][2].

Fmoc-Ala-Glu-Asn-Lys-NH2

C33H43N7O9 (681.3122108)

Fmoc-Ala-Glu-Asn-Lys-NH2 is a selective asparagine endopeptidase (AEP) inhibitor peptide and suppresses amyloid precursor protein (APP) cleavage. AEP, a pH-controlled cysteine proteinase, is activated during ageing and mediates APP proteolytic processing[1].

(2s,3r,4s,5s,6r)-2-{[(3s,4s,4as,5ar)-4-ethenyl-7-hydroxy-8-methoxy-13-oxo-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2s,3r,4s,5s,6r)-2-{[(3s,4s,4as,5ar)-4-ethenyl-7-hydroxy-8-methoxy-13-oxo-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C35H39NO13 (681.2421284)

6,7-Di-O-nicotinoylscutebarbatine G

C38H39N3O9 (681.2686164)

{"Ingredient_id": "HBIN012086","Ingredient_name": "6,7-Di-O-nicotinoylscutebarbatine G","Alias": "NA","Ingredient_formula": "C38H39N3O9","Ingredient_Smile": "CC1=CCCC2C1(C(C(C3(C2(C(CC4(O3)CC(=O)OC4)OC(=O)C5=CN=CC=C5)C)C)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41317","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

1-hydroxy-4-[(4s)-5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-3h,4h-pyrano[3,2-g]chromen-4-yl]-3,5,6-trimethoxy-10h-acridin-9-one

C40H43NO9 (681.2937668)

11-(benzoyloxy)-12-[(benzoyloxy)methyl]-15-(2-hydroperoxypropan-2-yl)-4,9-dimethyl-5-oxatricyclo[10.3.0.0⁴,⁶]pentadeca-9,14-dien-2-yl pyridine-3-carboxylate

C40H43NO9 (681.2937668)

(7s,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18-hexamethyl-6,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate

(7s,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18-hexamethyl-6,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate

C36H43NO12 (681.2785118)

(1s,3r,4ar,5s,6r,6ar,10as,10bs)-4a,6a,7,10b-tetramethyl-5'-oxo-5,6-bis(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-1-yl pyridine-3-carboxylate

C38H39N3O9 (681.2686164)

2-[(4-ethenyl-7-hydroxy-8-methoxy-13-oxo-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C35H39NO13 (681.2421284)

(1r,2r,4s,6r,9e,11s,12s)-11-(benzoyloxy)-12-[(benzoyloxy)methyl]-15-(2-hydroperoxypropan-2-yl)-4,9-dimethyl-5-oxatricyclo[10.3.0.0⁴,⁶]pentadeca-9,14-dien-2-yl pyridine-3-carboxylate

C40H43NO9 (681.2937668)

(1r,3r,4as,5r,6s,6as,10ar,10br)-4a,6a,7,10b-tetramethyl-5'-oxo-1,5-bis(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C38H39N3O9 (681.2686164)

(2s,3r,4s,5s,6r)-2-{[(3s,4r,4as,5ar)-4-ethenyl-8-hydroxy-7-methoxy-13-oxo-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2s,3r,4s,5s,6r)-2-{[(3s,4r,4as,5ar)-4-ethenyl-8-hydroxy-7-methoxy-13-oxo-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C35H39NO13 (681.2421284)

4a,6a,7,10b-tetramethyl-5'-oxo-1,5-bis(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C38H39N3O9 (681.2686164)

(2s,3r,4s,5s,6r)-2-{[(3s,4r,4as,5ar)-4-ethenyl-7-hydroxy-8-methoxy-13-oxo-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2s,3r,4s,5s,6r)-2-{[(3s,4r,4as,5ar)-4-ethenyl-7-hydroxy-8-methoxy-13-oxo-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C35H39NO13 (681.2421284)

2-[(4-ethenyl-8-hydroxy-7-methoxy-13-oxo-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C35H39NO13 (681.2421284)

1-hydroxy-4-[(4r)-5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-3h,4h-pyrano[3,2-g]chromen-4-yl]-3,5,6-trimethoxy-10h-acridin-9-one

C40H43NO9 (681.2937668)

1-hydroxy-4-[5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-3h,4h-pyrano[3,2-g]chromen-4-yl]-3,5,6-trimethoxy-10h-acridin-9-one

C40H43NO9 (681.2937668)