Mrv1533004171504262D 24 25 0 0 0 0 999 V2000 0.6160 -8.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3611 -8.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 -6.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 -6.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 -6.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9553 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5073 -4.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2523 -4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 -3.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 -2.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -1.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 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 -0.7145 0.4125 0.0000 O 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 0.7846 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7425 -2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 -5.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 -8.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 4 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 4 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 2 0 0 0 0 11 22 1 0 0 0 0 7 23 1 0 0 0 0 2 24 1 0 0 0 0 M END > NP0329727 > NP-MRD > CC(C)=CC(O)CC(C)=CCCC(C)=CCCC1C2OC2OC1=O > InChI=1S/C20H30O4/c1-13(2)11-16(21)12-15(4)9-5-7-14(3)8-6-10-17-18-20(23-18)24-19(17)22/h8-9,11,16-18,20-21H,5-7,10,12H2,1-4H3 > MWCBIZFZQBYZJE-UHFFFAOYSA-N > C20H30O4 > 334.456 > 334.214409446 > 3 > 54 > 38.15762560195083 > 1 > 1 > 0 > 1 > 4-(10-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-2,6-dioxabicyclo[3.1.0]hexan-3-one > 3.92 > 4.319352825666667 > -4.26 > 0 > 2 > 0 > 18.238812159446812 > -1.3817284642497376 > 59.059999999999995 > 96.53319999999997 > 9 > 1 > 1.82e-02 g/l > 4-(10-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-2,6-dioxabicyclo[3.1.0]hexan-3-one > 0 > NP0329727 > 4-(10-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-2,6-dioxabicyclo[3.1.0]hexan-3-one $$$$