Mrv1652304282211192D 22 22 0 0 1 0 999 V2000 2.5006 -1.0312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5006 -1.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7862 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.8562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 2.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6187 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 1 15 1 0 0 0 0 10 16 1 6 0 0 0 10 17 1 1 0 0 0 7 18 1 1 0 0 0 18 19 1 0 0 0 0 6 20 1 0 0 0 0 2 21 1 1 0 0 0 1 22 1 1 0 0 0 M END > NP0065052 > NP-MRD > CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C > InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1 > BYWWNDLILWPPJP-REXWONOSSA-N > C18H28O4 > 308.418 > 308.198759382 > 3 > 50 > 34.77530230421673 > 1 > 1 > 0 > 1 > (3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one > 3.84 > 3.4567878809999995 > -3.78 > 0 > 1 > 0 > 14.244355061816783 > -3.129319095961339 > 55.760000000000005 > 90.32840000000002 > 1 > 1 > 5.16e-02 g/l > (3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one > 0 > NP0065052 > Albocycline $$$$