Mrv1652304292205212D 28 31 0 0 1 0 999 V2000 2.2683 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 0.5910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1676 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6467 1.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5511 1.9878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4447 1.8914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2126 1.4475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9568 1.8244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0010 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5636 2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8943 3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6895 2.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3843 1.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3464 0.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6138 0.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 0.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8531 2.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 3.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 2.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6718 2.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0986 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 3.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 9 18 1 0 0 0 0 18 19 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 6 0 0 0 22 23 2 0 0 0 0 7 24 1 6 0 0 0 3 24 1 6 0 0 0 6 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > NP0082321 > NP-MRD > CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]2(COC1=O)[C@H](C=O)C(C)(C)C=CC2=O > InChI=1S/C22H26O6/c1-12-14-5-6-15-21(9-14,18(12)28-13(2)24)19(26)27-11-22(15)16(10-23)20(3,4)8-7-17(22)25/h7-8,10,14-16,18H,1,5-6,9,11H2,2-4H3/t14-,15-,16-,18-,21+,22-/m1/s1 > FPJDSNSCWOWHGQ-ODFAKIGKSA-N > C22H26O6 > 386.444 > 386.172938557 > 4 > 54 > 39.4650141508997 > 1 > 0 > 0 > 1 > (1R,1'S,6R,6'S,9'R,11'R)-6-formyl-5,5-dimethyl-10'-methylidene-2,2'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecan]-3-en-11'-yl acetate > 1.23 > 2.1291277313333348 > -3.92 > 0 > 4 > 0 > 15.246143042164341 > -5.118290069536876 > 86.74000000000001 > 100.51369999999999 > 3 > 1 > 4.65e-02 g/l > (1R,1'S,6R,6'S,9'R,11'R)-6-formyl-5,5-dimethyl-10'-methylidene-2,2'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecan]-3-en-11'-yl acetate > 0 > NP0082321 > Eriocalyxin E $$$$