CDK 1030232202 27 29 0 0 0 0 0 0 0 0999 V2000 1.8264 2.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0568 2.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 2.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 2.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 1.0385 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 4.7818 1.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1516 3.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9485 2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7922 0.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5319 3.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3020 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 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 19 22 1 0 0 0 0 M END > CHEBI:220555 > 1',2'-dehydropenicillide > 2 > 6-hydroxy-2-[(E)-3-hydroxy-3-methylbut-1-enyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one > C21H22O6 > 370.401 > 370.14164 > 0 > O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)/C=C/C(O)(C)C > InChI=1S/C21H22O6/c1-12-9-14-11-26-20(23)17-16(27-18(14)15(22)10-12)6-5-13(19(17)25-4)7-8-21(2,3)24/h5-10,22,24H,11H2,1-4H3/b8-7+ > CDCIKAPGWWMGGE-BQYQJAHWSA-N $$$$