Mrv1652309082203322D 38 42 0 0 1 0 999 V2000 5.6625 1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2529 1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 1.3356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9286 1.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 1.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 0.4332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2480 -0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4193 -0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 -1.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8061 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9775 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 -3.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 -3.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8893 -4.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 -4.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4475 -5.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 -6.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 -7.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -7.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 -8.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 -6.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 -6.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 -2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -3.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 0.1202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6736 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5721 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 1.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 0.5218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2710 -0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 -0.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 0.2874 0.0000 C 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 4 5 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 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 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 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 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 8 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 6 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 33 1 0 0 0 0 29 34 1 0 0 0 0 4 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 2 38 1 0 0 0 0 M END > NP0259616 > NP-MRD > CC(O)C(OCCC1=CC(=O)OC1)\C=C\C=C/C(=O)O[C@@H]1CC2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)C21CO1 > InChI=1S/C29H38O9/c1-18-8-10-28(16-30)23(12-18)37-24-14-22(27(28,3)29(24)17-36-29)38-25(32)7-5-4-6-21(19(2)31)34-11-9-20-13-26(33)35-15-20/h4-7,12-13,19,21-24,30-31H,8-11,14-17H2,1-3H3/b6-4+,7-5-/t19?,21?,22-,23-,24?,27-,28-,29?/m1/s1 > JGIYRVDWRBKREW-IZGUFKAQSA-N > C29H38O9 > 530.614 > 530.251582804 > 7 > 76 > 55.829182300164106 > 0 > 2 > 0 > 0 > (1'S,2'R,7'R,11'R)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-11'-yl (2Z,4E)-7-hydroxy-6-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethoxy]octa-2,4-dienoate > 1.9846852913333324 > 1 > 5 > 0 > 14.342113456913513 > 7.159947218781276 > -2.801589088107016 > 124.05000000000001 > 140.19590000000002 > 11 > 0 > (1'S,2'R,7'R,11'R)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-11'-yl (2Z,4E)-7-hydroxy-6-[2-(5-oxo-2H-furan-3-yl)ethoxy]octa-2,4-dienoate > 0 > NP0259616 > (1's,2'r,7'r,11'r)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl (2z,4e)-7-hydroxy-6-[2-(5-oxo-2h-furan-3-yl)ethoxy]octa-2,4-dienoate $$$$