CDK 1028232204 32 32 0 0 0 0 0 0 0 0999 V2000 4.2869 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7144 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 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 5 3 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 1 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 18 20 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 6 0 0 0 22 25 1 6 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 28 26 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 1 0 0 0 31 28 1 0 0 0 0 31 32 1 6 0 0 0 29 31 1 0 0 0 0 M END > CHEBI:201342 > Chaxalactin A > 2 > (3E,5E,7E,9S,11E,13R,14S,16S,17Z,19E,22S)-22-[(E)-but-1-enyl]-14,16-dihydroxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one > C28H40O4 > 440.624 > 440.29266 > 0 > O=C1O[C@H](/C=C/CC)CC=CC=C[C@@H](O)C[C@H](O)[C@H](C)C=CC[C@@H](C=CC=C(C=C1)C)C > InChI=1S/C28H40O4/c1-5-6-17-26-18-9-7-8-16-25(29)21-27(30)24(4)15-11-14-22(2)12-10-13-23(3)19-20-28(31)32-26/h6-13,15-17,19-20,22,24-27,29-30H,5,14,18,21H2,1-4H3/b9-7+,12-10+,15-11+,16-8-,17-6+,20-19+,23-13+/t22-,24-,25-,26-,27+/m1/s1 > DDLYOXCLOXCDSG-AIEDZYBBSA-N $$$$