Mrv1652304292207562D 23 22 0 0 0 0 999 V2000 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 -0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0487 3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7631 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4776 3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1921 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7631 4.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 11 16 1 0 0 0 0 16 17 3 0 0 0 0 17 18 1 0 0 0 0 18 19 3 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 2 0 0 0 0 M END > NP0085401 > NP-MRD > CCCCCC\C=C\C(O)C(OC(C)=O)C#CC#CC(=O)CC > InChI=1S/C19H26O4/c1-4-6-7-8-9-10-14-18(22)19(23-16(3)20)15-12-11-13-17(21)5-2/h10,14,18-19,22H,4-9H2,1-3H3/b14-10+ > YSRZAAFSSYENGU-GXDHUFHOSA-N > C19H26O4 > 318.413 > 318.183109317 > 3 > 49 > 37.502788026129686 > 1 > 1 > 0 > 1 > (10E)-9-hydroxy-3-oxoheptadec-10-en-4,6-diyn-8-yl acetate > 4.41 > 4.4529197153333335 > -4.57 > 0 > 0 > 0 > 19.37479411926522 > 13.394246817100193 > -3.501151777259504 > 63.6 > 92.42629999999998 > 13 > 1 > 8.53e-03 g/l > (10E)-9-hydroxy-3-oxoheptadec-10-en-4,6-diyn-8-yl acetate > 0 > NP0085401 > 8-O-Acetylfalcarindiolone $$$$