Mrv1533004261513092D 36 39 0 0 0 0 999 V2000 -0.3984 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 -1.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 2.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 3.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 3.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 2.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -2.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3409 -2.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1659 -2.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5784 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1659 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3409 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 27 1 4 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 31 36 1 0 0 0 0 M END > NP0252327 > NP-MRD > CC1C(CC2(O)C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C=O)OC(=O)C=CC1=CC=CC=C1 > InChI=1S/C25H30O11/c1-13-16(34-18(28)8-7-14-5-3-2-4-6-14)9-25(32)15(10-26)12-33-23(19(13)25)36-24-22(31)21(30)20(29)17(11-27)35-24/h2-8,10,12-13,16-17,19-24,27,29-32H,9,11H2,1H3 > OGMPPLUGEMUXPE-UHFFFAOYSA-N > C25H30O11 > 506.504 > 506.178811786 > 10 > 66 > 51.01178373649856 > 1 > 5 > 0 > 0 > 4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-phenylprop-2-enoate > 0.15 > -0.3121130080000002 > -2.56 > 1 > 4 > 0 > 13.032603394691673 > 12.183431811069356 > -2.9810847601931876 > 172.20999999999998 > 122.4713 > 8 > 0 > 1.40e+00 g/l > 4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-phenylprop-2-enoate > 0 > NP0252327 > 4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl 3-phenylprop-2-enoate $$$$