Mrv1652309122212142D 29 33 0 0 1 0 999 V2000 -0.9961 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 0.8570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5375 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 1.3964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8461 2.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 0.6239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6825 0.4487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3352 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1071 0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -0.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 -1.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 -1.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9502 -0.4456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4824 -1.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8068 -1.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 -3.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -2.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -1.0232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0353 -1.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2309 -0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 0.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2313 -0.1724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4341 -0.5342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3214 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 0.4530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1878 1.0958 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 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 12 1 1 0 0 0 8 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 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 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 8 24 1 0 0 0 0 21 25 1 0 0 0 0 7 25 1 1 0 0 0 25 26 1 6 0 0 0 2 26 1 0 0 0 0 26 27 1 6 0 0 0 25 28 1 0 0 0 0 3 28 1 0 0 0 0 28 29 1 1 0 0 0 M END > NP0327559 > NP-MRD > CC(=O)O[C@H]1[C@@H]2C(C)(C)CCC[C@]22CO[C@]1(O)[C@@]13[C@H](O)[C@@H](C[C@H](O)[C@@H]21)C(=C)[C@H]3O > InChI=1S/C22H32O7/c1-10-12-8-13(24)14-20-7-5-6-19(3,4)15(20)18(29-11(2)23)22(27,28-9-20)21(14,16(10)25)17(12)26/h12-18,24-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,16+,17+,18-,20+,21-,22-/m0/s1 > SCQGHCFEGSHMDK-WFAOESQHSA-N > C22H32O7 > 408.491 > 408.21480337 > 6 > 61 > 67.05917369815467 > 1 > 4 > 0 > 1 > (1R,2S,3S,5S,7R,8R,9R,10S,11R,18R)-3,7,9,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-10-yl acetate > -0.01577473533333279 > 0 > 5 > 0 > 13.759756786957176 > 10.577542697626205 > -2.857025792165685 > 116.45000000000002 > 101.72229999999998 > 2 > 1 > (1R,2S,3S,5S,7R,8R,9R,10S,11R,18R)-3,7,9,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-10-yl acetate > 0 > NP0327559 > (1r,2s,3s,5s,7r,8r,9r,10s,11r,18r)-3,7,9,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-10-yl acetate $$$$