Mrv0541 08121414502D 41 45 0 0 1 0 999 V2000 9.7765 -3.6744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0611 -3.2633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0602 -2.4383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7741 -2.0249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4891 -2.4365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4901 -3.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2030 -2.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2019 -1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7731 -1.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3451 -2.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3474 -3.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6323 -3.2657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9238 -3.6802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2087 -3.2689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2073 -2.4439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9211 -2.0302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6362 -2.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9197 -1.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 -2.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4949 -3.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9269 -4.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7811 -4.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 -4.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 -5.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7808 -6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4927 -4.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4891 -5.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2018 -6.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9181 -5.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9216 -4.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2089 -4.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6378 -4.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3483 -4.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0646 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0681 -3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3554 -3.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6392 -3.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1983 -6.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7827 -6.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3503 -4.5032 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.7843 -3.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 20 1 6 0 0 0 3 10 1 1 0 0 0 13 21 1 6 0 0 0 4 5 1 0 0 0 0 1 22 1 1 0 0 0 2 11 1 6 0 0 0 5 6 1 0 0 0 0 12 11 1 6 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 26 22 2 0 0 0 0 22 23 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 12 13 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 13 14 1 0 0 0 0 30 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 2 3 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 16 18 1 6 0 0 0 28 38 2 0 0 0 0 4 9 1 6 0 0 0 25 39 1 0 0 0 0 15 19 1 1 0 0 0 23 40 1 0 0 0 0 3 4 1 0 0 0 0 35 41 1 0 0 0 0 M CHG 1 40 -1 M END > CHEBI:78636 > vitexin 2''-O-beta-L-rhamnoside(1-) > A flavonoid oxoanion that is the conjugate base of vitexin 2''-O-β-L-rhamnoside obtained by deprotonation of the OH group at position 7 on the chromene. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). > 3 > vitexin 2''-O-beta-L-rhamnoside > (1S)-1,5-anhydro-2-O-(6-deoxy-beta-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol > C27H29O14 > 577.51130 > 577.15628 > -1 > C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/p-1/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27+/m0/s1 > LYGPBZVKGHHTIE-JZUNINQASA-M > VITEXIN-2-O-B-L-RHAMNOSIDE > 6705789 $$$$