CDK 1018121543 48 50 0 0 0 0 0 0 0 0999 V2000 16.8047 -23.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0378 -23.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 -23.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3298 -22.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0878 -22.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2315 -24.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 -23.8191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6424 -23.8149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5646 -23.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8880 -22.2145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0089 -24.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7177 -24.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 -24.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8147 -22.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7096 -23.4357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8352 -23.9317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4057 -23.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 -23.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 -23.4065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8983 -23.5399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6399 -22.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3418 -23.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -22.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8019 -24.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 -22.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 -22.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4959 -23.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 -23.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1923 -21.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 -23.4065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2209 -23.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6277 -23.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6124 -23.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6505 -23.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3279 -23.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5013 -23.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7928 -23.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 -23.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0573 -23.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7533 -23.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4868 -23.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0759 -23.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1829 -23.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9122 -23.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2182 -23.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3929 -24.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5646 -24.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 -24.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 20 1 0 0 0 0 7 15 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 1 2 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 16 9 1 0 0 0 0 17 18 1 0 0 0 0 18 16 1 0 0 0 0 19 8 1 0 0 0 0 20 32 1 1 0 0 0 21 20 1 0 0 0 0 22 2 1 0 0 0 0 15 23 1 6 0 0 0 16 24 1 1 0 0 0 19 25 1 6 0 0 0 30 26 1 6 0 0 0 27 28 1 0 0 0 0 28 19 1 0 0 0 0 10 29 1 6 0 0 0 30 31 1 0 0 0 0 31 27 1 0 0 0 0 32 35 1 0 0 0 0 33 22 1 0 0 0 0 34 30 1 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 37 42 1 0 0 0 0 38 34 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 43 1 0 0 0 0 42 38 1 0 0 0 0 43 44 1 0 0 0 0 44 33 1 0 0 0 0 45 36 1 0 0 0 0 7 46 1 6 0 0 0 9 47 1 1 0 0 0 8 48 1 1 0 0 0 5 10 1 0 0 0 0 14 9 1 0 0 0 0 13 8 1 0 0 0 0 M END > CHEBI:68973 > squamostatin-A > A natural product found in Annona squamosa. > 2 > (5S)-3-(9-{(2R,5S)-5-[(1S,4R)-4-{(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}nonyl)-5-methyl-2(5H)-furanone > C37H66O8 > 638.91510 > 638.47577 > 0 > [H][C@]1(CC[C@@H](CCCCCCCCCC2=C[C@H](C)OC2=O)O1)[C@@H](O)CC[C@@H](O)[C@@]1([H])CC[C@@]([H])(O1)[C@@H](O)CCC[C@@H](O)CCCCCC > InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30+,31-,32-,33+,34-,35+,36+/m0/s1 > HKIHGTSLUYNNHM-LIASLPPCSA-N > 22011319 $$$$