Marvin 01261211342D 25 27 0 0 1 0 999 V2000 4.7400 -6.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -6.8071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3111 -6.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3111 -8.0446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3111 -8.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 -6.8071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0255 -7.6321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5965 -7.6321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7400 -8.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 -8.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 -6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 -6.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1689 -3.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1688 -3.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -2.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 -3.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 -3.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -4.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -5.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -4.3322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -5.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -5.5696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3110 -3.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3111 -5.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -2.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 7 2 1 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 6 8 1 0 0 0 0 8 4 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 1 0 0 0 6 11 1 1 0 0 0 7 9 1 6 0 0 0 8 10 1 6 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 19 18 1 0 0 0 0 18 17 1 0 0 0 0 17 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 1 1 6 0 0 0 14 25 1 0 0 0 0 M END > CHEBI:63671 > TRIBOA beta-D-glucoside > A β-D-glucoside having (R)-2,4,7-trihydroxy-2H-1,4-benzoxazin-3(4H)-one as the anomeric substituent. > 3 > TRIBOA beta-D-glucoside; (R)-TRIBOA beta-D-glucoside > (2R)-4,7-dihydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside > C14H17NO10 > 359.28550 > 359.08525 > 0 > OC[C@H]1O[C@@H](O[C@H]2Oc3cc(O)ccc3N(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C14H17NO10/c16-4-8-9(18)10(19)11(20)13(24-8)25-14-12(21)15(22)6-2-1-5(17)3-7(6)23-14/h1-3,8-11,13-14,16-20,22H,4H2/t8-,9-,10+,11-,13+,14-/m1/s1 > YCPMEKOJGFYFJJ-TWTZXXGESA-N > 18192444 $$$$