Mrv2104 12222320112D 43 48 0 0 1 0 999 V2000 -0.0287 -0.7878 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 0 0 0 0 0 0 0 0 0 0 2.2558 0.6655 0.0000 C 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 2.3183 -1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6241 -2.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 -1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2454 -2.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5524 -2.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4624 -3.2119 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 2.2656 -2.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -0.6935 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 0.2657 -0.7020 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 4.6575 1.6489 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 7.3109 -0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7968 -1.5118 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 4.3445 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4699 -2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 -3.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -2.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 -2.4398 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 3.0841 1.8536 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 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 13 15 2 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 17 1 0 0 0 0 7 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 3 22 1 0 0 0 0 7 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 28 35 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 24 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 25 42 1 0 0 0 0 6 42 1 0 0 0 0 42 43 2 0 0 0 0 M END > NP0332288 > NP-MRD > [H][C@@]12C[C@]3([H])C=C4C(=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/C33H36O8/c1-9-29(3,4)22-25-18(11-12-30(5,6)39-25)23(34)21-24(35)19-14-17-15-20-31(7,8)41-32(27(17)36,13-10-16(2)28(37)38)33(19,20)40-26(21)22/h9-12,14,17,20,34H,1,13,15H2,2-8H3,(H,37,38)/b16-10+/t17-,20-,32-,33?/m0/s1 > MBENYWBYGGOHPB-BYCGXQHFSA-N > C33H36O8 > 560.643 > 560.241018119 > 8 > 77 > 31.490520792894927 > 0 > 2 > 0 > 0 > (2E)-4-[(1S,2S,17R,19R)-12-hydroxy-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),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid > 6.0031590936666674 > 0 > 6 > -1 > 8.576901008702158 > 3.5570716254740735 > -4.1362215885063565 > 119.36000000000001 > 154.50420000000003 > 5 > 0 > (2E)-4-[(1S,2S,17R,19R)-12-hydroxy-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),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid > 0 > NP0332288 > Garcilatelic acid $$$$