Chemical Formula: C41H30O28
Chemical Formula C41H30O28
Found 28 metabolite its formula value is C41H30O28
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