Mrv2104 03082315232D 32 34 0 0 1 0 999 V2000 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 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 3 5 2 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 6 9 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 6 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 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 20 2 0 0 0 0 20 21 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 1 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 22 27 1 0 0 0 0 10 28 2 0 0 0 0 5 29 1 0 0 0 0 29 30 2 0 0 0 0 2 31 2 0 0 0 0 9 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0333481 > NP-MRD > COC1=C(C(=O)[C@H]2CC=C(CC\C=C\C)C[C@@H]2C2=CC=CC=C2)C(O)=C(C)C(O)=C1C=O > InChI=1S/C27H30O5/c1-4-5-7-10-18-13-14-20(21(15-18)19-11-8-6-9-12-19)26(31)23-25(30)17(2)24(29)22(16-28)27(23)32-3/h4-6,8-9,11-13,16,20-21,29-30H,7,10,14-15H2,1-3H3/b5-4+/t20-,21+/m0/s1 > LILBTYJUPBKMDH-ARMKIQIJSA-N > C27H30O5 > 434.532 > 434.209324066 > 5 > 62 > 48.21064689238305 > 1 > 2 > 0 > 0 > 2,4-dihydroxy-6-methoxy-3-methyl-5-[(1S,6S)-4-[(3E)-pent-3-en-1-yl]-6-phenylcyclohex-3-ene-1-carbonyl]benzaldehyde > 7.1241330646666645 > 1 > 3 > -1 > 8.282927501004666 > 7.111295815854055 > -4.927350171684298 > 83.83 > 129.276 > 8 > 0 > 2,4-dihydroxy-6-methoxy-3-methyl-5-[(1S,6S)-4-[(3E)-pent-3-en-1-yl]-6-phenylcyclohex-3-ene-1-carbonyl]benzaldehyde > 0 > NP0333481 > (±)-Cleichalmyrcin C1 $$$$