CDK 1018121544 30 33 0 0 0 0 0 0 0 0999 V2000 -2.4542 -6.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1625 -6.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4542 -6.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -5.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0250 -7.7542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8792 -6.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7375 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -7.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1583 -4.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0292 -8.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4500 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -8.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -8.9917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5917 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -4.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 -6.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -4.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -8.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 -6.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -9.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -9.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3907 -10.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 -8.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 6 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 16 4 2 0 0 0 0 5 17 1 6 0 0 0 7 18 1 6 0 0 0 10 19 1 6 0 0 0 20 6 1 0 0 0 0 6 21 1 6 0 0 0 22 15 1 0 0 0 0 23 12 1 0 0 0 0 24 20 1 0 0 0 0 2 25 1 1 0 0 0 11 26 1 1 0 0 0 3 2 1 0 0 0 0 7 4 1 0 0 0 0 14 13 1 0 0 0 0 24 22 1 0 0 0 0 15 27 1 0 0 0 0 2 1 1 0 0 0 0 15 28 1 1 0 0 0 1 3 1 6 0 0 0 28 29 2 0 0 0 0 4 10 1 0 0 0 0 28 30 1 0 0 0 0 M END > CHEBI:70283 > Epoxypholamin C, (rel)- > A natural product found in Paraconiothyrium species. > 2 > C22H32O6 > 392.48590 > 392.21989 > 0 > [H][C@]12O[C@@]1(C[C@H]1C(C)=CC[C@]3([H])[C@]1(C)CCC[C@@]3(C)C(O)=O)[C@@H](O)[C@@H](O)C(=C)[C@H]2O > InChI=1S/C22H32O6/c1-11-6-7-14-20(3,8-5-9-21(14,4)19(26)27)13(11)10-22-17(25)15(23)12(2)16(24)18(22)28-22/h6,13-18,23-25H,2,5,7-10H2,1,3-4H3,(H,26,27)/t13-,14+,15-,16+,17-,18+,20+,21+,22-/m0/s1 > DXQHDILKRYSUPK-QWQUQJRYSA-N > 21114274 $$$$