6478778 CDK 0602212312 28 30 0 0 0 0 0 0 0 0999 V2000 3.8493 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 1.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7616 -0.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4069 -1.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7616 0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1904 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 -0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6193 0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 1.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 -0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3353 0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0482 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7642 0.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0450 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 3 13 1 0 0 0 0 4 15 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 15 16 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > CHEBI:175012 > Mangostinone > 2 > 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one > C23H24O5 > 380.440 > 380.16237 > 0 > O1C2=C(C(O)=C(C\C=C(\CCC=C(C)C)/C)C(O)=C2)C(=O)C3=C1C(O)=CC=C3 > InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+ > RJLWIAOXQDZMTB-GXDHUFHOSA-N $$$$