Exact Mass: 756.3451052
Exact Mass Matches: 756.3451052
Found 83 metabolites which its exact mass value is equals to given mass value 756.3451052,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Michellamine A
C46H48N2O8 (756.3410488000001)
Arg-Pro-Pro-Gly-Phe-Ser-Pro
Deoxybouvardin
Deoxybouvardin is a natural product found in Rubia cordifolia with data available.
(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-methylbutyrate)|2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one 7,9-diacetate 8-benzoate 2,3-bis(2-methylbutyrate)
Michellamine A
C46H48N2O8 (756.3410488000001)
A dimeric isoquinoline alkaloid isolated from Ancistrocladus abbreviatus and has been shown to exhibit anti-HIV activity.
3??,5??,7??,8??,9??,15??-Hexaacetoxy-2??-benzoyloxyjatropha-6(17),11E-dien-14-one
2-O-(6-O-octanoyl-beta-D-glucopyranosyl)-6-O-(beta-D-glucopyranosyl)-1-O-octanoyl-beta-D-glucopyranose|nonioside G
rel-(2R,3R,6S,7R,8R,9S,13S,15)-(4E,11E)-2,6,7,8,9,15-hexaacetoxy-3-(benzoyloxy)-14-oxojatropha-4,11-diene
2??,3??,5??,8??,9??,15??-Hexaacetoxy-7??-benzoyloxyjatropha-6(17),11E-dien-14-one
SSR240612 free base
C42H52N4O7S (756.3556522000001)
CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4071; ORIGINAL_PRECURSOR_SCAN_NO 4066 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4069; ORIGINAL_PRECURSOR_SCAN_NO 4068 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4082; ORIGINAL_PRECURSOR_SCAN_NO 4078 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4076; ORIGINAL_PRECURSOR_SCAN_NO 4074 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4152; ORIGINAL_PRECURSOR_SCAN_NO 4150 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4074; ORIGINAL_PRECURSOR_SCAN_NO 4070 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8215; ORIGINAL_PRECURSOR_SCAN_NO 8212 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8238; ORIGINAL_PRECURSOR_SCAN_NO 8236 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8263; ORIGINAL_PRECURSOR_SCAN_NO 8260 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8269; ORIGINAL_PRECURSOR_SCAN_NO 8266 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8247; ORIGINAL_PRECURSOR_SCAN_NO 8245 CONFIDENCE standard compound; INTERNAL_ID 267; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8264; ORIGINAL_PRECURSOR_SCAN_NO 8259
Michellamine b
C46H48N2O8 (756.3410488000001)
A dimeric isoquinoline alkaloid isolated from Ancistrocladus abbreviatus and has been shown to exhibit anti-HIV activity.
(S)-()-2,2′,6,6′-Tetramethoxy-4,4′-bis[di(3,5-xylyl)phosphino]-3,3′-bipyridine
Bradykinin Fragment 1-7
Bradykinin (1-7) is an amino-truncated Bradykinin peptide. Bradykinin (1-7) is a metabolite of Bradykinin, cleaved by endopeptidase. Bradykinin (1-7) is an amino-truncated Bradykinin peptide. Bradykinin (1-7) is a metabolite of Bradykinin, cleaved by endopeptidase.
(r)-(+)-2,2,6,6-tetramethoxy-4,4-bis(di(3,5-xylyl)phosphino)-3,3-bipyridine
5-[3-[4-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
C46H48N2O8 (756.3410488000001)
[1-heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(E)-tridec-8-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[des-Phe(8), des-Arg(9)]-bradykinin
A seven-membered oligopeptide comprising Arg, Pro, Pro, Gly, Phe, Ser, and Pro residues joined in sequence by peptide bonds. It is a metabolite of bradykinin lacking the Phe residue at position 8 and the Arg residue at position 9.
NVP-CGM097 (sulfate)
NVP-CGM097 sulfate is a potent and selective MDM2 inhibitor with IC50 of 1.7±0.1 nM for hMDM2.
(1s,3s)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
C46H48N2O8 (756.3410488000001)
[(1r,3ar,5as,7s,9ar,9br,11ar)-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3s,5r)-3,4,6-trihydroxy-5-{[(2r,3s,5s)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1h,2h,3h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9a-yl]methyl acetate
(1s,3s)-5-{4'-[(1s,3s)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
C46H48N2O8 (756.3410488000001)
1,4-bis{[(1s,3s,4r)-3-hydroxy-4-(2-hydroxyethyl)-4-(hydroxymethyl)cyclohexyl]methyl} (2e,3e)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedioate
(2r,3r,4r,5r,7s,8s,9s,11e,13s,15r)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-me-thylbutyrate)
{"Ingredient_id": "HBIN006420","Ingredient_name": "(2r,3r,4r,5r,7s,8s,9s,11e,13s,15r)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-me-thylbutyrate)","Alias": "NA","Ingredient_formula": "C41H56O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9394","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s,7r,8s,11r,18s,21r,22s,25r)-4,18-bis[(2s)-butan-2-yl]-11,25-diisopropyl-7,21-dimethyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.1⁵,⁸.1¹²,¹⁵.1¹⁹,²²]dotriaconta-1(28),2,5(32),9,12(31),14,16,19(30),23,26(29)-decaene-2,9,16,23-tetrol
2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione
(3r,10s,13r,20s,27r,30s,32r,40s)-36-chloro-29,32-dihydroxy-27-isopropyl-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-28,33,35,37-tetraene-2,9,12,19,26-pentone
C35H49ClN10O7 (756.3474034000001)
2,3a,9,10,11,12-hexakis(acetyloxy)-2,5,8,8,12-pentamethyl-4-oxo-1h,3h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
methyl (1s,2s,4r,6s,7r,8r,9r,10r,11s,12s,14r,15s,16r,18r)-9,12,14,18-tetrakis(acetyloxy)-6-(furan-3-yl)-1,7,11,15-tetramethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecane-15-carboxylate
(2s)-2-[(6-{[(1r,2s,4r,5r,6r,7r,10s,11s,14s,16s)-5-(acetyloxy)-11-formyl-16-hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-1-hydroxy-6-oxohexylidene)amino]-5-carbamimidamidopentanoic acid
(1r,2r,3s,6e,8s,9r,10r,12r,14e,16r)-12-hydroxy-2-({[(2r,3s,4r,5r,6s)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-9-{[(4s,5r,6r,7r,9r)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy}-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
(2r,3r,3as,4r,6s,7s,8s,12s,13ar)-6,8-bis(acetyloxy)-4,13a-dihydroxy-2,9,9,12-tetramethyl-2,3-bis({[(2r)-2-methylbutanoyl]oxy})-5-methylidene-13-oxo-1h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-7-yl benzoate
12-hydroxy-2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-9-({6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl}oxy)-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
1,4-bis{[(1s,3s,4r)-3-hydroxy-4-(2-hydroxyethyl)-4-(hydroxymethyl)cyclohexyl]methyl} (2e)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedioate
36-chloro-29,32-dihydroxy-27-isopropyl-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-28,33,35,37-tetraene-2,9,12,19,26-pentone
C35H49ClN10O7 (756.3474034000001)
(1s)-5-{4'-[(1s)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
C46H48N2O8 (756.3410488000001)
2,5,11-trihydroxy-10-[(4-hydroxyphenyl)methyl]-24-methoxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione
6,8-bis(acetyloxy)-4,13a-dihydroxy-2,9,9,12-tetramethyl-2,3-bis[(2-methylbutanoyl)oxy]-5-methylidene-13-oxo-1h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-7-yl benzoate
(2r,3r,3as,4r,6s,7s,8s,12s,13ar)-2,3,4,7,8,13a-hexakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-6-yl benzoate
1,3a,9,10,11,13-hexakis(acetyloxy)-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1h,3h,5h,9h,10h,11h,13h,13ah-cyclopenta[12]annulen-2-yl benzoate
(6z,14z)-12-hydroxy-2-({[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-9-{[(4s,5r,6r,7s,9r)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy}-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione
(1s,2s,3as,5r,9r,10s,11s,12r)-2,3a,9,10,11,12-hexakis(acetyloxy)-2,5,8,8,12-pentamethyl-4-oxo-1h,3h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
5-[4'-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
C46H48N2O8 (756.3410488000001)