CDK 1030232203 37 41 0 0 0 0 0 0 0 0999 V2000 1.1938 -3.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 -3.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -2.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0609 -3.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8519 -3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -3.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7509 -4.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2264 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0265 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 -3.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 0.0604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4028 0.7639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 0.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 -2.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 -0.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 0.8615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2218 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2444 1.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 -2.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -2.1371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0516 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0015 -2.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 -1.3294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2634 -2.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 2.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5595 -0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 0.2298 0.0000 C 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 10 7 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 10 16 1 6 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 6 0 0 0 22 14 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 6 0 0 0 15 25 1 0 0 0 0 18 26 2 0 0 0 0 27 20 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 30 27 1 0 0 0 0 27 31 1 1 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 30 34 1 1 0 0 0 30 35 1 0 0 0 0 33 36 2 0 0 0 0 35 37 2 0 0 0 0 22 17 1 1 0 0 0 19 26 1 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 36 37 1 0 0 0 0 M END > CHEBI:227095 > Isororidin P > 2 > (1R,12Z,17S,18S,19Z,21Z,25R,26S,27S)-18-hydroxy-5,13,17,26-tetramethylspiro[2,10,16,24-tetraoxatetracyclo[23.2.1.03,8.08,26]octacosa-4,12,19,21-tetraene-27,2'-oxirane]-11,23-dione > C29H38O8 > 514.615 > 514.25667 > 0 > O=C1OCC23[C@@]4([C@@]5(OC5)[C@H](OC2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@@H]([C@@H](OCCC(=C1)C)C)O)C > InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-20(3)21(30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22+,23?,24+,27+,28?,29-/m0/s1 > LIZTVRFBEXUQHG-XCIVTRMOSA-N $$$$