Mrv1652309072217172D 28 29 0 0 1 0 999 V2000 5.2612 -1.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5434 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 -2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 -2.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -3.1567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1401 -2.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -3.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0993 -3.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -4.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -4.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -4.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -4.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -3.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2414 -3.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3559 -2.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6986 -1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2289 -1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9468 -0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0414 -1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5717 -0.5698 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.3236 -1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7933 -2.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 -3.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -4.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 -3.0978 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 2 0 0 0 0 5 4 1 6 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 1 0 0 0 2 15 2 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 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 24 27 2 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > NP0251943 > NP-MRD > C[C@H]1CCC(=O)[C@@H](C)[C@]1(C)\C=C\C(\C)=C\CC1=C(O)C(Cl)=C(C)C(C=O)=C1O > InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m0/s1 > SETVRSKZJJWOPA-OLWBNLDESA-N > C23H29ClO4 > 404.93 > 404.1754371 > 4 > 57 > 44.153154565236065 > 1 > 2 > 0 > 0 > 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,4E)-3-methyl-5-[(1S,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl]benzaldehyde > 6.654268878666666 > 0 > 2 > -1 > 8.527442619948426 > 5.841100529614853 > -6.043439126273062 > 74.6 > 116.40119999999996 > 5 > 0 > 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,4E)-3-methyl-5-[(1S,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl]benzaldehyde > 0 > NP0251943 > 3-chloro-4,6-dihydroxy-2-methyl-5-[(2e,4e)-3-methyl-5-[(1s,2s,6s)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl]benzaldehyde $$$$