CDK 1030232202 27 29 0 0 0 0 0 0 0 0999 V2000 2.9553 -4.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1483 -3.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 -3.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 -4.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 -2.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 -2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7893 -4.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8314 -2.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 -3.5617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2704 -2.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 -4.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 -3.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4922 -5.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5930 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 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 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 7 4 1 0 0 0 0 5 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 1 0 0 0 8 13 2 0 0 0 0 9 14 1 6 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 15 19 1 1 0 0 0 20 16 1 0 0 0 0 16 21 1 6 0 0 0 20 22 1 6 0 0 0 20 23 1 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 25 27 1 0 0 0 0 7 9 1 0 0 0 0 11 13 1 0 0 0 0 15 16 1 0 0 0 0 M END > CHEBI:221673 > JBIR-136 > 2 > (2R,3S,6R,7R)-6-hydroxy-3-[(1R)-1-hydroxy-4-methylpent-3-enyl]-7-methoxy-2,3,4-trimethyl-2,6,7,8-tetrahydrobenzo[g][1]benzouran-9-one > C22H30O5 > 374.477 > 374.20932 > 0 > O=C1C2=C(C=C(C)C3=C2O[C@H](C)[C@@]3([C@H](O)CC=C(C)C)C)[C@@H](O)[C@@H](C1)OC > InChI=1S/C22H30O5/c1-11(2)7-8-17(24)22(5)13(4)27-21-18-14(9-12(3)19(21)22)20(25)16(26-6)10-15(18)23/h7,9,13,16-17,20,24-25H,8,10H2,1-6H3/t13-,16-,17-,20-,22-/m1/s1 > YTSDPGXQZGDXTJ-NWUSBDAISA-N $$$$