72378 -OEChem-03282419562D 38 42 0 1 0 0 0 0 0999 V2000 6.3002 -1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0819 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -2.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 1.8725 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4178 1.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4178 0.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3117 1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3117 -0.1622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9169 2.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 2.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6857 1.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2178 0.3517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6857 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2178 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 -1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 -1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -2.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1539 0.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4112 -0.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 -0.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 3.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 2.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 2.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8168 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4737 1.9551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 1.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 0.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7535 1.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -1.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 0.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -1.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 0.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 -3.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5507 -3.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 35 1 0 0 0 0 14 2 1 6 0 0 0 2 36 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 1 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 6 0 0 0 8 11 1 0 0 0 0 8 16 2 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > 72378 > 1 > 481 > 5 > 2 > 0 > AAADceB6OAAAAAAAAAAAAAAAAAAAAWJAAAA8QIAAAAAAAFixAAAAHgAACAAADTzhmAcwDoMABgCAAiBCAACCCAAgIAAAiAAOjIgdNiKEsRukcCpmwBGPuAew8P8OoAABAAAQQABAAAIAACCAAAAAAAAAAA== > (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol > (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol > (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol > (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol > (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol > (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol > InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1 > XGVJWXAYKUHDOO-DANNLKNASA-N > 0 > 287.11575802 > C16H17NO4 > 287.31 > C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5O)O)OCO4 > C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4 > 62.2 > 287.11575802 > 0 > 21 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 5 12 15 8 12 17 8 15 18 8 17 19 8 18 20 8 19 20 8 14 2 6 6 22 5 7 23 6 $$$$