21674176 CDK 0601212310 36 40 0 0 0 0 0 0 0 0999 V2000 3.1346 -3.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4069 -0.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 -1.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1348 -2.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8492 -1.1751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1348 -1.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3144 -1.1694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3210 -0.3102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8492 -2.8249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5637 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -0.3159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5768 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 -0.0546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1254 -1.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6322 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 -2.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1348 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3984 0.7275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6499 -2.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8522 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2069 0.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4692 1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2777 1.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5400 2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8239 1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3485 2.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9938 3.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 -1.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 -0.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3805 -1.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 -3.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8296 0.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 10 1 0 0 0 0 12 2 1 6 0 0 0 3 19 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 32 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 33 1 6 0 0 0 7 18 1 1 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 34 1 6 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 35 1 6 0 0 0 12 13 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 14 36 1 6 0 0 0 15 16 1 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 21 24 1 6 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 1 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 M END > CHEBI:173170 > Stoloniferone B > 2 > (1S,2R,7S,9R,11S,12S,15R,16R,18R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-18-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one > C28H42O3 > 426.641 > 426.31340 > 0 > O1[C@@]23[C@]([C@@]4([C@]([C@]5([C@](C[C@H]4O)([C@](CC5)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])C)[H])(C[C@@]12[H])[H])[H])(C)C(=O)C=CC3 > InChI=1S/C28H42O3/c1-16(2)17(3)9-10-18(4)20-11-12-21-19-14-24-28(31-24)13-7-8-23(30)27(28,6)25(19)22(29)15-26(20,21)5/h7-10,16-22,24-25,29H,11-15H2,1-6H3/b10-9+/t17-,18+,19-,20+,21-,22+,24+,25+,26+,27+,28+/m0/s1 > YSRHZXLRKUQZHV-BLGPIUHFSA-N > LMST01031072 $$$$