Mrv1652309032216352D 24 24 0 0 1 0 999 V2000 -2.7240 -10.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 -10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 -10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5628 -10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 -10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 -10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 -10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 -10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 -10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 -10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2786 -10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9931 -10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7076 -10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7938 -9.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 -8.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6008 -9.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0133 -9.7614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8337 -9.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4612 -10.3745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6328 -11.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 1 0 0 0 M END > NP0176857 > NP-MRD > C[C@@H]1OC(=O)\C(=C/CCCCCCCCCCCCCC#C)[C@@H]1O > InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h1,17-18,20,22H,4-16H2,2H3/b19-17-/t18-,20+/m0/s1 > XQMNRPUXUUOJTM-NUFQYXKXSA-N > C21H34O3 > 334.5 > 334.250794955 > 2 > 58 > 42.03740480737764 > 0 > 1 > 0 > 0 > (3Z,4S,5S)-3-(hexadec-15-yn-1-ylidene)-4-hydroxy-5-methyloxolan-2-one > 6.135212707000001 > 0 > 1 > 0 > 13.310643883561337 > -3.537724365330271 > 46.53 > 98.86139999999999 > 13 > 0 > (3Z,4S,5S)-3-(hexadec-15-yn-1-ylidene)-4-hydroxy-5-methyloxolan-2-one > 0 > NP0176857 > (3z,4s,5s)-3-(hexadec-15-yn-1-ylidene)-4-hydroxy-5-methyloxolan-2-one $$$$