Mrv1533004231523362D 40 44 0 0 0 0 999 V2000 3.6754 3.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 3.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 2.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 1.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 -0.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4919 0.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4095 1.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6994 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1754 3.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8031 3.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2791 4.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 4.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3829 4.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 5.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9069 4.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8297 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 -0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0638 -1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 -0.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4361 -1.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 2.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 2.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5438 3.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 3.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 3.6399 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 5 6 2 0 0 0 0 6 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 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 17 23 1 0 0 0 0 11 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 9 28 1 0 0 0 0 28 29 1 0 0 0 0 6 30 1 0 0 0 0 3 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 31 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 2 40 1 0 0 0 0 M END > NP0330857 > NP-MRD > CC1=C2CC=C(COC3OC(COC(=O)CC4=CC=C(O)C=C4)C(O)C(O)C3O)C2C2OC(=O)C(=C)C2C(O)C1 > InChI=1S/C29H34O11/c1-13-9-19(31)22-14(2)28(36)40-27(22)23-16(5-8-18(13)23)11-38-29-26(35)25(34)24(33)20(39-29)12-37-21(32)10-15-3-6-17(30)7-4-15/h3-7,19-20,22-27,29-31,33-35H,2,8-12H2,1H3 > IUMVSFAJKAOULC-UHFFFAOYSA-N > C29H34O11 > 558.58 > 558.210111915 > 9 > 74 > 56.640636471528154 > 1 > 5 > 0 > 0 > [3,4,5-trihydroxy-6-({4-hydroxy-6-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-9-yl}methoxy)oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate > 0.70 > 0.4908613580000006 > -3.21 > 1 > 5 > 0 > 12.211497718353016 > 9.495586257962813 > -2.9245636540438644 > 172.21 > 139.46280000000002 > 8 > 0 > 3.48e-01 g/l > [3,4,5-trihydroxy-6-({4-hydroxy-6-methyl-3-methylidene-2-oxo-3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-9-yl}methoxy)oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate > 0 > NP0330857 > [3,4,5-trihydroxy-6-({4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl}methoxy)oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate $$$$