Mrv2104 03082315262D 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 0.0000 -1.6500 0.0000 C 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 -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 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 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 -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 -3.5724 -3.7125 0.0000 O 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 -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 4 5 1 0 0 0 0 3 6 2 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 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 2 0 0 0 0 15 16 1 0 0 0 0 11 17 2 0 0 0 0 17 18 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 1 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 7 25 2 0 0 0 0 2 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 27 30 2 0 0 0 0 6 30 1 0 0 0 0 30 31 1 0 0 0 0 26 32 1 0 0 0 0 M END > NP0333486 > 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=O)C(O)=C1C > InChI=1S/C27H30O5/c1-4-5-7-10-18-13-14-20(21(15-18)19-11-8-6-9-12-19)25(30)23-26(31)22(16-28)24(29)17(2)27(23)32-3/h4-6,8-9,11-13,16,20-21,29,31H,7,10,14-15H2,1-3H3/b5-4+/t20-,21+/m0/s1 > JSIGZZPEMQBJRH-ARMKIQIJSA-N > C27H30O5 > 434.532 > 434.209324066 > 5 > 62 > 48.42243138793398 > 1 > 2 > 0 > 0 > 2,6-dihydroxy-4-methoxy-3-methyl-5-[(1S,6S)-4-[(3E)-pent-3-en-1-yl]-6-phenylcyclohex-3-ene-1-carbonyl]benzaldehyde > 7.774133064666666 > 1 > 3 > 0 > 9.18742814500676 > 7.277966542530288 > -4.631489518343438 > 83.83000000000001 > 129.276 > 8 > 0 > 2,6-dihydroxy-4-methoxy-3-methyl-5-[(1S,6S)-4-[(3E)-pent-3-en-1-yl]-6-phenylcyclohex-3-ene-1-carbonyl]benzaldehyde > 0 > NP0333486 > (±)-Cleichalmyrcin D1 $$$$