461667 CDK 0602212313 43 45 0 0 0 0 0 0 0 0999 V2000 13.3210 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0280 -0.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 -0.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0024 -2.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9884 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7730 0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7335 1.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4405 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6536 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8530 -0.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9085 1.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1080 0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8689 0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3379 -1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1584 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6434 -2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8581 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4638 -1.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0735 0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9488 -2.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4604 1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7692 -2.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6758 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2542 -3.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0746 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2780 1.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5596 -3.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8803 1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2673 2.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3801 -3.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4826 1.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8650 -4.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8695 2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 3.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 3.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 4.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 42 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 43 1 0 0 0 0 M END > CHEBI:176212 > Squamocin L > 2 > 4-[13-hydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-uran-5-one > C37H66O6 > 606.929 > 606.48594 > 0 > O1C(C2OC(CC2)C(O)CCCCCCCCCC)CCC1C(O)CCCCCCCCCCCCC3=CC(OC3=O)C > InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3 > URLVCROWVOSNPT-UHFFFAOYSA-N $$$$