Mrv1652309062207132D 29 30 0 0 0 0 999 V2000 11.4284 -1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0312 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2064 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8093 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9845 0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5873 0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0150 1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3654 1.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1129 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 0.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0661 1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3186 2.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1434 2.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 3.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3959 3.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8236 3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6484 3.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0456 3.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8704 2.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2675 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0923 2.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4894 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0618 0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8866 0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4589 0.0979 0.0000 O 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 1 0 0 0 0 6 7 1 0 0 0 0 6 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 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 2 29 1 0 0 0 0 M END > NP0226253 > NP-MRD > CC1CCCC(O)\C=C\C2C(O)CC(O)CC2\C=C\C=C/C\C=C\C=C/C(=O)O1 > InChI=1S/C24H34O5/c1-18-10-9-12-20(25)14-15-22-19(16-21(26)17-23(22)27)11-7-5-3-2-4-6-8-13-24(28)29-18/h3-8,11,13-15,18-23,25-27H,2,9-10,12,16-17H2,1H3/b5-3-,6-4+,11-7+,13-8-,15-14+ > VSDXMNLTATZDCM-CRAHKIHCSA-N > C24H34O5 > 402.531 > 402.240624195 > 4 > 63 > 46.108068581741904 > 1 > 3 > 0 > 1 > 3,20,22-trihydroxy-7-methyl-4,5,6,7,9,14,18a,19,20,21,22,22a-dodecahydro-3H-8-benzoxacycloicosin-9-one > 3.0184877246666657 > 0 > 2 > 0 > 15.413795913021964 > 14.637011535834795 > -1.6263391345988123 > 86.99 > 120.53249999999998 > 0 > 1 > 3,20,22-trihydroxy-7-methyl-3,4,5,6,7,14,18a,19,20,21,22,22a-dodecahydro-8-benzoxacycloicosin-9-one > 0 > NP0226253 > (1e,10z,12e,15z,17e)-3,20,22-trihydroxy-7-methyl-3,4,5,6,7,14,18a,19,20,21,22,22a-dodecahydro-8-benzoxacycloicosin-9-one $$$$