Mrv0541 05061305222D 24 26 0 0 0 0 999 V2000 2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 6 5 2 0 0 0 0 8 1 1 0 0 0 0 8 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 7 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 13 2 0 0 0 0 15 10 1 0 0 0 0 15 14 1 0 0 0 0 16 11 2 0 0 0 0 17 9 2 0 0 0 0 17 14 1 0 0 0 0 18 10 2 0 0 0 0 18 16 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 15 2 0 0 0 0 23 16 1 0 0 0 0 24 17 1 0 0 0 0 24 18 1 0 0 0 0 M END > NP0075867 > NP-MRD > CC(C)=CCC1=C2OC3=C(C=CC(O)=C3O)C(=O)C2=C(O)C=C1O > InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13(21)14-15(22)10-5-6-11(19)16(23)18(10)24-17(9)14/h3,5-7,19-21,23H,4H2,1-2H3 > ZZUFNBISWJNCEE-UHFFFAOYSA-N > C18H16O6 > 328.316 > 328.094688244 > 5 > 33.42056822802541 > 1 > 4 > 0 > 1 > 1,3,5,6-tetrahydroxy-4-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one > 2.93 > 4.123945933 > -3.63 > 0 > 3 > 0 > 7.799980531299641 > 7.180643430617394 > -4.18127892194421 > 107.22 > 88.98269999999998 > 2 > 1 > 7.72e-02 g/l > 1,3,5,6-tetrahydroxy-4-(3-methylbut-2-en-1-yl)xanthen-9-one > 0 > NP0075867 > Ugaxanthone $$$$