Showing NP-Card for {5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (NP0241292)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2022-09-07 01:20:27 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2022-09-07 01:20:27 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0241292 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | {5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)Mrv1652309072203202D 57 61 0 0 0 0 999 V2000 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 O 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 -2.1434 1.2375 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 -2.8579 -0.0000 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 -2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 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 -4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 C 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 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 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 -0.7145 1.2375 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 0.7145 2.0625 0.0000 O 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 2.1434 1.2375 0.0000 O 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 2.1434 -0.4125 0.0000 O 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 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.4750 0.0000 O 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 2 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 1 0 0 0 0 15 16 2 0 0 0 0 15 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 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 2 0 0 0 0 19 27 1 0 0 0 0 12 28 1 0 0 0 0 28 29 1 0 0 0 0 29 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 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 30 39 1 0 0 0 0 39 40 1 0 0 0 0 28 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 43 51 1 0 0 0 0 51 52 1 0 0 0 0 41 53 1 0 0 0 0 10 53 1 0 0 0 0 53 54 1 0 0 0 0 6 55 1 0 0 0 0 55 56 2 0 0 0 0 3 56 1 0 0 0 0 56 57 1 0 0 0 0 M END 3D MOL for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)RDKit 3D 107111 0 0 0 0 0 0 0 0999 V2000 0.0627 -0.8404 -7.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 0.2342 -6.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5527 0.9317 -6.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 0.6784 -6.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 1.4074 -5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 2.4259 -4.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 3.2166 -3.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 2.6025 -2.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 2.5385 -1.7383 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 1.9787 -0.4924 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0395 0.7911 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 0.9581 -0.3147 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0693 -0.3482 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 -1.3504 -0.6867 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 -2.6943 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5105 -3.0750 0.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 -3.6207 -1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -4.9153 -1.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 -5.8873 -2.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 -5.5701 -3.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -6.5398 -4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 -7.8490 -4.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4543 -8.8412 -5.1125 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1809 -8.1826 -3.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 -9.4977 -3.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0187 -9.9766 -2.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 -7.2204 -2.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1982 2.1363 0.5153 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0076 1.8286 1.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0761 2.5785 0.6748 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4974 3.3574 1.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7628 3.1958 2.1841 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1136 4.2162 3.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 5.5184 2.7572 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 3.3296 1.1453 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9204 2.5329 1.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3454 2.8005 -0.1738 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3527 2.2021 -0.9201 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1851 1.8471 0.0447 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6807 0.8070 0.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 2.4368 1.4892 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9906 3.2853 2.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 2.7612 3.7725 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0672 2.7300 4.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2786 2.2458 5.8082 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4696 0.7288 5.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 2.8661 6.5461 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4584 1.9727 6.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8789 4.0862 5.7906 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7996 4.9651 5.7316 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 3.6231 4.4062 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4343 2.8408 4.5813 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 2.9609 0.6409 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0411 4.1775 0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 2.6712 -4.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 1.9492 -5.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2388 2.2418 -5.2341 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 -0.3597 -8.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 -1.4883 -7.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 -1.4053 -7.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2672 -0.1188 -6.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 1.1394 -5.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 3.2248 -4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 4.2596 -3.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1645 1.6446 -2.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3305 3.3096 -1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8116 1.7353 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2387 1.0776 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 -0.3013 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -0.6202 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -3.2524 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1134 -5.2458 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -4.5556 -3.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9985 -6.2611 -5.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 -9.8082 -4.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 -9.3020 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5254 -10.1643 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4713 -10.9457 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -7.5158 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 2.9606 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6799 3.3086 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 2.2095 2.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 4.1166 4.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1653 4.0939 3.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 6.1118 3.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 4.3550 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 2.7959 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0127 3.6975 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 2.9545 -1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 1.4676 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 0.4030 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 1.4947 1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 1.7419 3.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 2.4123 6.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 0.2646 6.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 0.2921 4.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 0.5193 5.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 3.1966 7.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2824 2.5092 6.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 4.5479 6.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 5.5591 4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5392 4.5167 3.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2185 3.3375 4.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 3.0967 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 4.9163 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 3.4821 -3.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 1.7614 -5.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 24 27 2 0 12 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 32 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 28 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 41 53 1 0 53 54 1 0 6 55 1 0 55 56 2 0 56 57 1 0 56 3 1 0 53 10 1 0 27 19 1 0 39 30 1 0 51 43 1 0 1 58 1 0 1 59 1 0 1 60 1 0 4 61 1 0 5 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 10 67 1 6 12 68 1 6 13 69 1 0 13 70 1 0 17 71 1 0 18 72 1 0 20 73 1 0 21 74 1 0 23 75 1 0 26 76 1 0 26 77 1 0 26 78 1 0 27 79 1 0 28 80 1 6 30 81 1 6 32 82 1 1 33 83 1 0 33 84 1 0 34 85 1 0 35 86 1 6 36 87 1 0 37 88 1 6 38 89 1 0 39 90 1 6 40 91 1 0 41 92 1 1 43 93 1 6 45 94 1 1 46 95 1 0 46 96 1 0 46 97 1 0 47 98 1 1 48 99 1 0 49100 1 1 50101 1 0 51102 1 6 52103 1 0 53104 1 1 54105 1 0 55106 1 0 57107 1 0 M END 3D SDF for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)Mrv1652309072203202D 57 61 0 0 0 0 999 V2000 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 O 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 -2.1434 1.2375 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 -2.8579 -0.0000 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 -2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 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 -4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 C 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 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 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 -0.7145 1.2375 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 0.7145 2.0625 0.0000 O 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 2.1434 1.2375 0.0000 O 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 2.1434 -0.4125 0.0000 O 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 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.4750 0.0000 O 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 2 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 1 0 0 0 0 15 16 2 0 0 0 0 15 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 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 2 0 0 0 0 19 27 1 0 0 0 0 12 28 1 0 0 0 0 28 29 1 0 0 0 0 29 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 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 30 39 1 0 0 0 0 39 40 1 0 0 0 0 28 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 43 51 1 0 0 0 0 51 52 1 0 0 0 0 41 53 1 0 0 0 0 10 53 1 0 0 0 0 53 54 1 0 0 0 0 6 55 1 0 0 0 0 55 56 2 0 0 0 0 3 56 1 0 0 0 0 56 57 1 0 0 0 0 M END > <DATABASE_ID> NP0241292 > <DATABASE_NAME> NP-MRD > <SMILES> COC1=CC=C(CCOC2OC(COC(=O)\C=C\C3=CC=C(O)C(OC)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C=C1O > <INCHI_IDENTIFIER> InChI=1S/C37H50O20/c1-16-26(42)28(44)30(46)36(53-16)57-34-32(48)35(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(33(34)56-37-31(47)29(45)27(43)23(14-38)54-37)15-52-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+ > <INCHI_KEY> GQOKXUFOZGOTPA-RMKNXTFCSA-N > <FORMULA> C37H50O20 > <MOLECULAR_WEIGHT> 814.787 > <EXACT_MASS> 814.28954401 > <JCHEM_ACCEPTOR_COUNT> 19 > <JCHEM_ATOM_COUNT> 107 > <JCHEM_AVERAGE_POLARIZABILITY> 81.6980269892426 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 10 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> {5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > <JCHEM_LOGP> -0.6596221733333343 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.231737658311511 > <JCHEM_PKA_STRONGEST_ACIDIC> 9.62545661486124 > <JCHEM_PKA_STRONGEST_BASIC> -3.648377575208073 > <JCHEM_POLAR_SURFACE_AREA> 302.44 > <JCHEM_REFRACTIVITY> 189.7810000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 16 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> {5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)PDB for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)HEADER PROTEIN 07-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-SEP-22 0 HETATM 1 C UNK 0 -6.668 6.930 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 -5.335 6.160 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 -5.335 4.620 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.001 3.850 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.001 2.310 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.335 1.540 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -5.335 -0.000 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -4.001 -2.310 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -2.667 -4.620 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.667 -7.700 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 -4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 -4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 -5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -8.002 -7.700 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -8.002 -9.240 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -9.336 -10.010 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -10.669 -9.240 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -12.003 -10.010 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -10.669 -7.700 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -12.003 -6.930 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -12.003 -5.390 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -9.336 -6.930 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 1.334 -5.390 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 -0.000 -7.700 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 -0.000 -9.240 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.334 -10.010 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.334 -11.550 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 1.334 -10.010 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 1.334 -11.550 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 4.001 -10.010 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 4.001 -6.930 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -0.000 -3.080 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 1.334 -2.310 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 -0.000 -0.000 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -0.000 1.540 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 1.334 3.850 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 4.001 2.310 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 2.667 -0.000 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 4.001 -0.770 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 -1.334 -0.770 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 -6.668 2.310 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -6.668 3.850 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 -8.002 4.620 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 56 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 55 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 53 CONECT 11 10 12 CONECT 12 11 13 28 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 CONECT 19 18 20 27 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 27 CONECT 25 24 26 CONECT 26 25 CONECT 27 24 19 CONECT 28 12 29 41 CONECT 29 28 30 CONECT 30 29 31 39 CONECT 31 30 32 CONECT 32 31 33 35 CONECT 33 32 34 CONECT 34 33 CONECT 35 32 36 37 CONECT 36 35 CONECT 37 35 38 39 CONECT 38 37 CONECT 39 37 30 40 CONECT 40 39 CONECT 41 28 42 53 CONECT 42 41 43 CONECT 43 42 44 51 CONECT 44 43 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 49 CONECT 48 47 CONECT 49 47 50 51 CONECT 50 49 CONECT 51 49 43 52 CONECT 52 51 CONECT 53 41 10 54 CONECT 54 53 CONECT 55 6 56 CONECT 56 55 3 57 CONECT 57 56 MASTER 0 0 0 0 0 0 0 0 57 0 122 0 END 3D PDB for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)SMILES for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)COC1=CC=C(CCOC2OC(COC(=O)\C=C\C3=CC=C(O)C(OC)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C=C1O INCHI for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)InChI=1S/C37H50O20/c1-16-26(42)28(44)30(46)36(53-16)57-34-32(48)35(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(33(34)56-37-31(47)29(45)27(43)23(14-38)54-37)15-52-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+ Structure for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)3D Structure for NP0241292 ({5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C37H50O20 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 814.7870 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 814.28954 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | {5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | {5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | COC1=CC=C(CCOC2OC(COC(=O)\C=C\C3=CC=C(O)C(OC)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C=C1O | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C37H50O20/c1-16-26(42)28(44)30(46)36(53-16)57-34-32(48)35(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(33(34)56-37-31(47)29(45)27(43)23(14-38)54-37)15-52-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+ | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | GQOKXUFOZGOTPA-RMKNXTFCSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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