Mrv1652309052217572D 14 15 0 0 0 0 999 V2000 0.1536 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0216117 > NP-MRD > CC1CCN=C2C1N=C(O)\C2=C(\C)O > InChI=1S/C10H14N2O2/c1-5-3-4-11-9-7(6(2)13)10(14)12-8(5)9/h5,8,13H,3-4H2,1-2H3,(H,12,14)/b7-6- > VJFIILVPPZGOTO-SREVYHEPSA-N > C10H14N2O2 > 194.234 > 194.105527699 > 4 > 28 > 20.728799372622117 > 1 > 2 > 0 > 1 > (3Z)-3-(1-hydroxyethylidene)-7-methyl-3H,5H,6H,7H,7aH-pyrrolo[3,2-b]pyridin-2-ol > 0.5323230790340537 > 0 > 2 > 0 > 9.4582507722484 > 4.3925395355722605 > 5.408779260934625 > 65.18 > 54.10680000000001 > 0 > 1 > (3Z)-3-(1-hydroxyethylidene)-7-methyl-5H,6H,7H,7aH-pyrrolo[3,2-b]pyridin-2-ol > 0 > NP0216117 > (3z)-3-(1-hydroxyethylidene)-7-methyl-5h,6h,7h,7ah-pyrrolo[3,2-b]pyridin-2-ol $$$$