Mrv1652309122216162D 25 27 0 0 1 0 999 V2000 -0.5837 -1.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -0.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7812 -1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -1.5229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4957 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -1.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9246 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -0.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9246 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 0.1271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4957 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 6 0 0 0 8 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 4 25 1 0 0 0 0 M END > NP0329676 > NP-MRD > OC[C@H]1O[C@@H](OC2=C(O)C=C3NC(=CC3=C2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C15H17NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h1-3,10-13,15-21H,4H2,(H,22,23)/t10-,11-,12+,13-,15-/m1/s1 > CYTSSGZFJSIQQW-ZHZXCYKASA-N > C15H17NO9 > 355.299 > 355.090331131 > 9 > 42 > 33.45944445020843 > 1 > 7 > 0 > 0 > 6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indole-2-carboxylic acid > -1.225606896 > 0 > 3 > -1 > 9.188528658524293 > 5.111001711663013 > -2.981092354911979 > 172.7 > 80.38440000000001 > 4 > 0 > 6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indole-2-carboxylic acid > 0 > NP0329676 > 6-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h-indole-2-carboxylic acid $$$$