Exact Mass: 816.0657504000001
Exact Mass Matches: 816.0657504000001
Found 8 metabolites which its exact mass value is equals to given mass value 816.0657504000001,
within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error
4.0E-5 dalton.
Brevilagin I
(1S,3R,4R,21R,22S)-10,10,14,15,16,28,28,32,33,34-decahydroxy-3-(hydroxymethyl)-2,5,20,23,38-pentaoxaheptacyclo[19.17.0.0⁴,²².0⁷,¹².0¹³,¹⁸.0²⁵,³⁰.0³¹,³⁶]octatriaconta-7,13(18),14,16,25,31(36),32,34-octaen-6,9,11,19,24,27,29,37-octone
Brevilagin i is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Brevilagin i can be found in common grape, which makes brevilagin i a potential biomarker for the consumption of this food product.
(1r,3s,9r,10s,27r,28s,30r,35s,36s,37r,39s)-1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13(18),14,16,19,21,23,34(41)-octaene-4,7,12,25,33,40-hexone
(1r,3s,9r,10s,27r,28s,30r,35s,36s,37r,39s)-1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13(18),14,16,19,21,23,34(41)-octaene-4,7,12,25,33,40-hexone
1,13,14,18,18,19,28,34,35,39,39-undecahydroxy-6,9,24,27,30,40,41-heptaoxanonacyclo[34.3.1.1¹⁵,¹⁹.0⁴,³⁸.0⁷,²⁶.0⁸,²⁹.0¹¹,¹⁶.0¹⁷,²².0³²,³⁷]hentetraconta-3,11(16),12,14,21,32,34,36-octaene-2,5,10,20,23,31-hexone
1,13,14,18,18,19,28,34,35,39,39-undecahydroxy-6,9,24,27,30,40,41-heptaoxanonacyclo[34.3.1.1¹⁵,¹⁹.0⁴,³⁸.0⁷,²⁶.0⁸,²⁹.0¹¹,¹⁶.0¹⁷,²².0³²,³⁷]hentetraconta-3,11(16),12,14,21,32,34,36-octaene-2,5,10,20,23,31-hexone
(1s,3r,9r,10s,27r,30r,37s,39r)-1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13,15,17,19(24),20,22,34(41)-octaene-4,7,12,25,33,40-hexone
(1s,3r,9r,10s,27r,30r,37s,39r)-1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13,15,17,19(24),20,22,34(41)-octaene-4,7,12,25,33,40-hexone
1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13(18),14,16,19,21,23,34(41)-octaene-4,7,12,25,33,40-hexone
1,3,15,16,17,20,21,22,28,37,39-undecahydroxy-2,8,11,26,29,32,38-heptaoxanonacyclo[32.5.2.0³,³⁷.0⁶,³⁶.0⁹,³⁰.0¹⁰,²⁷.0¹³,¹⁸.0¹⁹,²⁴.0³⁵,³⁹]hentetraconta-5,13(18),14,16,19,21,23,34(41)-octaene-4,7,12,25,33,40-hexone