Mrv0541 05061308442D 30 33 0 0 0 0 999 V2000 3.6754 -0.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1453 -2.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2677 -2.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 -3.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -3.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 3.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -3.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5438 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0217 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 1.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 1.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 3.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 -4.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 -1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 2.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 -0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 2.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 11 1 1 0 0 0 0 11 7 1 0 0 0 0 12 2 2 0 0 0 0 13 3 2 0 0 0 0 13 4 1 0 0 0 0 13 8 1 0 0 0 0 14 9 2 0 0 0 0 14 10 1 0 0 0 0 15 5 2 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 11 2 0 0 0 0 19 16 1 0 0 0 0 20 12 1 0 0 0 0 20 17 1 0 0 0 0 21 14 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 23 12 1 0 0 0 0 24 10 1 0 0 0 0 25 15 1 0 0 0 0 26 16 2 0 0 0 0 27 18 2 0 0 0 0 28 23 2 0 0 0 0 29 17 1 0 0 0 0 29 18 1 0 0 0 0 30 22 1 0 0 0 0 30 23 1 0 0 0 0 M END > FDB014592 > foodb > CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O > InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3 > UMVSOHBRAQTGQI-UHFFFAOYSA-N > C23H22O7 > 410.4166 > 410.136553058 > 5 > 41.17921259620253 > 1 > 2 > 0 > 1 > 9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate > 1.99 > 1.954158788666667 > -3.67 > 0 > 4 > 0 > 9.496684158744628 > 6.517997262325441 > -2.7605641572173 > 110.13 > 107.71939999999998 > 5 > 1 > 8.77e-02 g/l > 9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate > 0 > FDB014592 > Lactupicrin $$$$