CDK 1030232203 27 30 0 0 0 0 0 0 0 0999 V2000 1.9519 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5395 2.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.5395 0.0000 C 0 0 1 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 2.2540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9519 2.9684 0.0000 C 0 0 0 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 0.3020 2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 2.9684 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 0.0000 -1.2375 0.0000 C 0 0 2 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 -1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 1 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 -0.8250 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 -0.7144 -2.4750 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 0.0000 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5395 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 -3.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 O 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 4 2 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 1 0 0 0 7 4 1 0 0 0 0 4 8 1 0 0 0 0 9 5 1 0 0 0 0 5 10 1 0 0 0 0 11 8 1 6 0 0 0 9 12 1 6 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 15 11 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 18 15 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 6 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 24 22 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 24 27 1 1 0 0 0 7 6 1 1 0 0 0 7 9 1 0 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 M END > CHEBI:227213 > Neomacrophorin V > 2 > (1S,5R,6S)-1-[[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one > C22H32O5 > 376.493 > 376.22497 > 0 > O=C1C=C([C@@H](O)[C@H]2[C@@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)CO > InChI=1S/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-16,18-19,23-24,26H,1,5-8,10-11H2,2-4H3/t14-,15-,16+,18+,19-,21+,22+/m0/s1 > ZJIGIRXWBMNWPJ-PUJGGSSQSA-N $$$$