Mrv2104 12222320062D 46 51 0 0 1 0 999 V2000 -0.0357 -0.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 -0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7826 0.5903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2122 1.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 1.0614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3455 1.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 2.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 0.6655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8878 0.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0656 -0.2011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5994 -0.5409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3325 -1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 -2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -1.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 -2.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -2.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4276 -3.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1094 -1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -0.7671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2689 -0.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8262 -0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7309 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4975 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6763 1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9114 0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5586 0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4392 -0.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 -0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6725 -1.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0253 -0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4462 -2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 -3.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1086 -2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 -2.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0619 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 8 5 1 0 0 0 0 8 9 1 6 0 0 0 10 8 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 2 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 16 18 2 0 0 0 0 11 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 20 1 0 0 0 0 10 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 3 25 1 0 0 0 0 10 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 31 38 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 27 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 40 43 1 0 0 0 0 40 44 1 0 0 0 0 28 45 1 0 0 0 0 8 45 1 0 0 0 0 45 46 2 0 0 0 0 M END > NP0332285 > NP-MRD > [H][C@@]12C[C@]3([H])[C@H](OC)[C@@]4([H])C(=O)C5=C(O[C@@]14[C@@](C\C=C(/C)C(O)=O)(OC2(C)C)C3=O)C(=C1OC(C)(C)C=CC1=C5O)C(C)(C)C=C > InChI=1S/C34H40O9/c1-10-30(3,4)22-26-17(12-13-31(5,6)41-26)23(35)20-24(36)21-25(40-9)18-15-19-32(7,8)43-33(28(18)37,14-11-16(2)29(38)39)34(19,21)42-27(20)22/h10-13,18-19,21,25,35H,1,14-15H2,2-9H3,(H,38,39)/b16-11+/t18-,19+,21-,25+,33+,34?/m1/s1 > DEKKBLVNXABSRH-ZQMSOBOCSA-N > C34H40O9 > 592.685 > 592.267232868 > 9 > 83 > 35.037936268627504 > 0 > 2 > 0 > 0 > (2E)-4-[(1S,2S,15R,16S,17R,19R)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(2-methylbut-3-en-2-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid > 5.720994289666668 > 1 > 6 > -1 > 8.529026055205502 > 3.491395849924789 > -3.831510757845814 > 128.59 > 159.74100000000004 > 6 > 0 > (2E)-4-[(1S,2S,15R,16S,17R,19R)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(2-methylbut-3-en-2-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid > 0 > NP0332285 > 8-Methoxygarcilatelic acid $$$$