Mrv1652309122216222D 40 44 0 0 1 0 999 V2000 -2.9376 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 -1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1019 -0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9548 0.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7905 -1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -1.0983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7450 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4812 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3586 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 1.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4582 2.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1293 2.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3561 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3345 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 0.0964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0545 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 1.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0178 0.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 -0.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 -1.6438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5912 -2.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -3.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -3.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2238 -2.0451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3187 -2.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 -1.8191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7432 -2.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 -2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 0.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5793 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 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 13 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 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 2 0 0 0 0 22 27 1 0 0 0 0 19 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 28 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 8 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 6 0 0 0 24 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 23 40 1 0 0 0 0 M END > NP0329723 > NP-MRD > COC1=C(OC)[C@@]23COC4=C5OCOC5=CC([C@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@@H](OC(=O)C(\C)=C/C)C2=CC1=O)=C34 > InChI=1S/C29H32O11/c1-8-13(2)27(32)40-25-17-10-18(31)22(34-6)26(35-7)29(17)11-36-24-20(29)16(9-19-23(24)38-12-37-19)21(39-15(4)30)14(3)28(25,5)33/h8-10,14,21,25,33H,11-12H2,1-7H3/b13-8-/t14-,21+,25-,28-,29-/m0/s1 > LXUHSPACKMGZQS-HOIDTGBZSA-N > C29H32O11 > 556.564 > 556.19446185 > 9 > 72 > 55.21096248879943 > 1 > 1 > 0 > 0 > (1S,12R,13S,14S,15S)-12-(acetyloxy)-14-hydroxy-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.0^{1,16}.0^{4,21}.0^{5,9}]henicosa-4,9,11(21),16,19-pentaen-15-yl (2Z)-2-methylbut-2-enoate > 1.931066959333333 > 1 > 5 > 0 > 13.359166965288033 > 12.45942354486079 > -3.3917605484678646 > 136.05 > 141.76610000000002 > 7 > 0 > (1S,12R,13S,14S,15S)-12-(acetyloxy)-14-hydroxy-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.0^{1,16}.0^{4,21}.0^{5,9}]henicosa-4,9,11(21),16,19-pentaen-15-yl (2Z)-2-methylbut-2-enoate > 0 > NP0329723 > (1s,12r,13s,14s,15s)-12-(acetyloxy)-14-hydroxy-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,19-pentaen-15-yl (2z)-2-methylbut-2-enoate $$$$