Mrv1652309082221532D 29 32 0 0 1 0 999 V2000 -1.5432 -0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 -1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 -2.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6431 -1.2865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2807 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1935 -0.1020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4844 0.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3584 -0.7620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1235 -1.1137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2146 -1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 -2.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -2.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 -2.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 -0.3093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7018 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5168 -1.4311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6197 -2.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7175 -2.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -1.6746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5453 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 -3.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 7 6 1 1 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 11 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 6 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 11 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 M END > NP0273015 > NP-MRD > CC(=O)O[C@H]1CC[C@](C)(CO)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@@H](CC[C@@H]12)C(=C)C3=O > InChI=1S/C22H30O7/c1-12-14-4-5-15-21(8-14,18(12)26)19(27)28-11-22(15)16(9-23)20(3,10-24)7-6-17(22)29-13(2)25/h14-17,23-24H,1,4-11H2,2-3H3/t14-,15-,16-,17+,20-,21+,22+/m1/s1 > DLMCBELEVORZHL-IUUKJPRSSA-N > C22H30O7 > 406.475 > 406.199153306 > 5 > 59 > 42.122819342167034 > 1 > 2 > 0 > 1 > (1S,1'S,2R,3S,6S,6'S,9'R)-2,3-bis(hydroxymethyl)-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-6-yl acetate > 1.0707259376666671 > 0 > 4 > 0 > 15.599939218647943 > 14.934605302097268 > -2.613483565062162 > 110.13000000000002 > 102.4867 > 4 > 1 > (1S,1'S,2R,3S,6S,6'S,9'R)-2,3-bis(hydroxymethyl)-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-6-yl acetate > 0 > NP0273015 > (1s,1's,2r,3s,6s,6's,9'r)-2,3-bis(hydroxymethyl)-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-6-yl acetate $$$$