Exact Mass: 970.092358
Exact Mass Matches: 970.092358
Found 28 metabolites which its exact mass value is equals to given mass value 970.092358,
within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error
4.0E-5 dalton.
Valolaginic acid
2-[23-(carboxymethyl)-7,8,9,12,13,14,26,27,28,31,32,33,42-tridecahydroxy-4,17,22,36,40-pentaoxo-3,18,21,37,39-pentaoxaoctacyclo[23.13.3.1³⁴,³⁸.0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²⁹,⁴¹.0³⁰,³⁵]dotetraconta-5,7,9,11,13,15,25(41),26,28,30,32,34-dodecaen-24-yl]-2-hydroxyacetic acid
Valolaginic acid, also known as valolaginate, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Valolaginic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Valolaginic acid can be found in guava, which makes valolaginic acid a potential biomarker for the consumption of this food product.
(4r,5s,7r,25s,26r,29s,30s,31s)-29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11(16),12,14,17,19,21,33(37),34-nonaene-31-carboxylic acid
(4r,5s,7r,25s,26r,29s,30s,31s)-29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11(16),12,14,17,19,21,33(37),34-nonaene-31-carboxylic acid
(4r,5s,7r,25s,26r,29s,30s,31s)-29-(carboxymethyl)-13,14,15,18,19,20,29,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11(16),12,14,17,19,21,33(37),34-nonaene-31-carboxylic acid
(4r,5s,7r,25s,26r,29s,30s,31s)-29-(carboxymethyl)-13,14,15,18,19,20,29,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11(16),12,14,17,19,21,33(37),34-nonaene-31-carboxylic acid
(3s,4r)-4-[(1z)-1-carboxy-3-{[(1r,19r,21s,22r,23r)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-23-yl]oxy}-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-carboxylic acid
(3s,4r)-4-[(1z)-1-carboxy-3-{[(1r,19r,21s,22r,23r)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-23-yl]oxy}-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-carboxylic acid
{7-[6-({[6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-22-yl]oxy}carbonyl)-2,3,4-trihydroxyphenyl]-3,6-dioxo-2,5-dioxabicyclo[2.2.1]heptan-1-yl}acetic acid
{7-[6-({[6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-22-yl]oxy}carbonyl)-2,3,4-trihydroxyphenyl]-3,6-dioxo-2,5-dioxabicyclo[2.2.1]heptan-1-yl}acetic acid
29-(carboxymethyl)-13,14,15,18,19,20,29,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11,13,15,17(22),18,20,33(37),34-nonaene-31-carboxylic acid
29-(carboxymethyl)-13,14,15,18,19,20,29,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11,13,15,17(22),18,20,33(37),34-nonaene-31-carboxylic acid
4-(1-carboxy-3-{[6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-23-yl]oxy}-3-oxoprop-1-en-2-yl)-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-carboxylic acid
4-(1-carboxy-3-{[6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-23-yl]oxy}-3-oxoprop-1-en-2-yl)-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-carboxylic acid
(4r,5s,7r,25s,26r,29r,30r,31s)-29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11(16),12,14,17,19,21,33(37),34-nonaene-31-carboxylic acid
(4r,5s,7r,25s,26r,29r,30r,31s)-29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11(16),12,14,17,19,21,33(37),34-nonaene-31-carboxylic acid
[23-(carboxymethyl)-7,8,9,12,13,14,26,27,28,31,32,33,42-tridecahydroxy-4,17,22,36,40-pentaoxo-3,18,21,37,39-pentaoxaoctacyclo[23.13.3.1³⁴,³⁸.0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²⁹,⁴¹.0³⁰,³⁵]dotetraconta-5(10),6,8,11,13,15,25,27,29(41),30,32,34-dodecaen-24-yl](hydroxy)acetic acid
[23-(carboxymethyl)-7,8,9,12,13,14,26,27,28,31,32,33,42-tridecahydroxy-4,17,22,36,40-pentaoxo-3,18,21,37,39-pentaoxaoctacyclo[23.13.3.1³⁴,³⁸.0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²⁹,⁴¹.0³⁰,³⁵]dotetraconta-5(10),6,8,11,13,15,25,27,29(41),30,32,34-dodecaen-24-yl](hydroxy)acetic acid
[(1r,4r,7r)-7-[6-({[(1s,19r,21s,22r,23r)-6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-22-yl]oxy}carbonyl)-2,3,4-trihydroxyphenyl]-3,6-dioxo-2,5-dioxabicyclo[2.2.1]heptan-1-yl]acetic acid
[(1r,4r,7r)-7-[6-({[(1s,19r,21s,22r,23r)-6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-22-yl]oxy}carbonyl)-2,3,4-trihydroxyphenyl]-3,6-dioxo-2,5-dioxabicyclo[2.2.1]heptan-1-yl]acetic acid
(4r,5s,7r,25r,26r,29s,30r,31s)-29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11,13,15,17(22),18,20,33(37),34-nonaene-31-carboxylic acid
(4r,5s,7r,25r,26r,29s,30r,31s)-29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11,13,15,17(22),18,20,33(37),34-nonaene-31-carboxylic acid
[(4r,5s,7r,25s,26r,29r,30r,31s)-13,14,15,18,19,20,29,31,35,36-decahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11(16),12,14,17,19,21,34(38),35-nonaen-29-yl]acetic acid
[(4r,5s,7r,25s,26r,29r,30r,31s)-13,14,15,18,19,20,29,31,35,36-decahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11(16),12,14,17,19,21,34(38),35-nonaen-29-yl]acetic acid
5,6,7,8,11,12,13,14-octahydroxy-3,16-dioxo-21,22-bis(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4,6,8,10,12,14-hexaen-23-yl 3,4,5-trihydroxybenzoate
5,6,7,8,11,12,13,14-octahydroxy-3,16-dioxo-21,22-bis(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4,6,8,10,12,14-hexaen-23-yl 3,4,5-trihydroxybenzoate
[13,14,15,18,19,20,29,31,35,36-decahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11,13,15,17(22),18,20,34(38),35-nonaen-29-yl]acetic acid
[13,14,15,18,19,20,29,31,35,36-decahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11,13,15,17(22),18,20,34(38),35-nonaen-29-yl]acetic acid
(1s,19r,21s,22r,23r)-5,6,7,8,11,12,13,14-octahydroxy-3,16-dioxo-21,23-bis(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4,6,8,10,12,14-hexaen-22-yl 3,4,5-trihydroxybenzoate
(1s,19r,21s,22r,23r)-5,6,7,8,11,12,13,14-octahydroxy-3,16-dioxo-21,23-bis(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4,6,8,10,12,14-hexaen-22-yl 3,4,5-trihydroxybenzoate
29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11,13,15,17(22),18,20,33(37),34-nonaene-31-carboxylic acid
29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³³,³⁷]heptatriaconta-1(36),11,13,15,17(22),18,20,33(37),34-nonaene-31-carboxylic acid
(3s)-4-[(1z)-1-carboxy-3-{[(1r,19r,21s,22r,23r)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-23-yl]oxy}-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-carboxylic acid
(3s)-4-[(1z)-1-carboxy-3-{[(1r,19r,21s,22r,23r)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-23-yl]oxy}-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-carboxylic acid
(3s,4s)-4-[(1z)-1-carboxy-3-{[(1r,19r,21s,22r,23r)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-23-yl]oxy}-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-carboxylic acid
(3s,4s)-4-[(1z)-1-carboxy-3-{[(1r,19r,21s,22r,23r)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0⁴,⁹.0¹⁰,¹⁵]tricosa-4(9),5,7,10,12,14-hexaen-23-yl]oxy}-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-carboxylic acid
3-[6-({[(10r,11s,12r,13r,15r)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(2,3,4,5-tetrahydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaen-12-yl]oxy}carbonyl)-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid
3-[6-({[(10r,11s,12r,13r,15r)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(2,3,4,5-tetrahydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaen-12-yl]oxy}carbonyl)-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid