Showing NP-Card for nudibaccatumone (NP0043352)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-21 00:47:00 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-30 00:18:59 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0043352 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | nudibaccatumone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | nudibaccatumone is found in Piper nudibaccatum. It was first documented in 2013 (Liu, H. -X., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0043352 (nudibaccatumone)Mrv1652306212102473D 98103 0 0 0 0 999 V2000 -0.6646 -1.3892 -5.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -0.4237 -4.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.8239 -3.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 -0.0070 -3.3574 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8778 -0.0582 -1.8173 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7176 0.5702 -0.9646 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4278 -0.2681 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 0.4321 0.5721 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2973 1.3308 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3948 0.9524 1.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 2.8001 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 3.7021 0.7532 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 2.9543 0.0487 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6961 2.3216 1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 1.0422 1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2471 0.3243 2.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 -0.9628 2.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -1.6482 3.8330 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3794 -2.7900 3.3453 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0766 -3.3813 4.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -3.9189 2.6180 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2371 -3.6339 1.1293 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1421 -2.9913 0.9642 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4019 -2.3341 2.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3938 -1.4535 2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -0.9713 1.5828 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3785 0.5629 1.2641 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6105 1.0808 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.9316 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 1.3007 2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -1.8236 0.3087 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6790 -3.3318 0.5553 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2635 -3.9495 0.4881 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3027 -5.3152 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5496 2.1366 -1.2772 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3575 2.4751 -2.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6081 2.6908 -3.6269 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7968 1.9672 -4.6628 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6428 0.9510 -5.4520 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0753 3.8374 -2.7865 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0048 5.0112 -2.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 4.2478 -2.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 -0.9893 -5.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 -2.3635 -4.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 -1.5563 -6.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 -1.8588 -3.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7421 -0.4194 -3.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 1.0294 -3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8191 0.4371 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 -1.1069 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.1830 -2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 0.0314 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -1.3299 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 -0.5987 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 4.0127 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 2.9030 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 0.8964 2.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 -1.5793 2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -2.0590 4.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -0.8984 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 -3.8494 5.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 -2.6108 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -4.1458 4.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 -3.9765 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -4.8992 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -4.5320 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 -2.9298 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -2.2071 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -1.0463 3.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4077 -1.0905 2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5308 0.8273 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 2.1748 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 0.6777 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 2.0194 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 0.6089 1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 0.4912 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 1.1353 2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -1.5933 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 -1.5524 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 -3.5593 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -3.8287 -0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -4.1516 -0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -5.8777 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.9275 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 -5.2133 2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 2.4480 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 1.9650 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6209 2.8538 -3.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 2.7165 -5.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 1.4837 -4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 1.3472 -5.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 0.8329 -6.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 4.7059 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 5.5900 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 5.6748 -3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 4.8784 -3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 3.3885 -3.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 4.8181 -2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 35 36 1 0 0 0 0 19 24 1 0 0 0 0 32 33 1 0 0 0 0 26 27 1 0 0 0 0 33 23 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 2 1 0 0 0 0 2 3 2 0 0 0 0 35 6 1 0 0 0 0 27 28 1 0 0 0 0 24 23 1 0 0 0 0 27 29 1 0 0 0 0 26 25 1 0 0 0 0 27 30 1 1 0 0 0 31 26 1 0 0 0 0 35 13 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 13 1 0 0 0 0 23 68 1 6 0 0 0 9 10 2 0 0 0 0 31 32 1 0 0 0 0 11 12 2 0 0 0 0 19 18 1 1 0 0 0 2 1 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 40 1 0 0 0 0 25 24 2 0 0 0 0 33 34 1 0 0 0 0 18 17 1 0 0 0 0 40 41 1 1 0 0 0 23 22 1 0 0 0 0 40 42 1 0 0 0 0 17 16 2 0 0 0 0 35 86 1 6 0 0 0 22 21 1 0 0 0 0 6 7 1 1 0 0 0 21 19 1 0 0 0 0 13 14 1 0 0 0 0 5 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 4 3 1 0 0 0 0 19 20 1 0 0 0 0 8 15 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 26 70 1 1 0 0 0 25 69 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 6 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 77 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 17 58 1 0 0 0 0 16 57 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 3 46 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 8 54 1 1 0 0 0 13 55 1 6 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 37 88 1 1 0 0 0 36 87 1 6 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 14 56 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 M END 3D MOL for NP0043352 (nudibaccatumone)RDKit 3D 98103 0 0 0 0 0 0 0 0999 V2000 -0.6646 -1.3892 -5.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -0.4237 -4.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.8239 -3.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 -0.0070 -3.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 -0.0582 -1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 0.5702 -0.9646 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4278 -0.2681 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 0.4321 0.5721 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2973 1.3308 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3948 0.9524 1.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 2.8001 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 3.7021 0.7532 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 2.9543 0.0487 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6961 2.3216 1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 1.0422 1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2471 0.3243 2.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 -0.9628 2.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -1.6482 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3794 -2.7900 3.3453 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0766 -3.3813 4.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -3.9189 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 -3.6339 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -2.9913 0.9642 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4019 -2.3341 2.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3938 -1.4535 2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -0.9713 1.5828 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3785 0.5629 1.2641 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6105 1.0808 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.9316 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 1.3007 2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -1.8236 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -3.3318 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -3.9495 0.4881 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3027 -5.3152 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5496 2.1366 -1.2772 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3575 2.4751 -2.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6081 2.6908 -3.6269 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7968 1.9672 -4.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 0.9510 -5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 3.8374 -2.7865 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0048 5.0112 -2.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 4.2478 -2.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 -0.9893 -5.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 -2.3635 -4.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 -1.5563 -6.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 -1.8588 -3.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7421 -0.4194 -3.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 1.0294 -3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8191 0.4371 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 -1.1069 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.1830 -2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 0.0314 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -1.3299 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 -0.5987 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 4.0127 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 2.9030 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 0.8964 2.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 -1.5793 2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -2.0590 4.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -0.8984 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 -3.8494 5.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 -2.6108 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -4.1458 4.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 -3.9765 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -4.8992 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -4.5320 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 -2.9298 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -2.2071 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -1.0463 3.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4077 -1.0905 2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5308 0.8273 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 2.1748 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 0.6777 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 2.0194 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 0.6089 1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 0.4912 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 1.1353 2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -1.5933 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 -1.5524 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 -3.5593 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -3.8287 -0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -4.1516 -0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -5.8777 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.9275 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 -5.2133 2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 2.4480 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 1.9650 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6209 2.8538 -3.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 2.7165 -5.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 1.4837 -4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 1.3472 -5.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 0.8329 -6.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 4.7059 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 5.5900 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 5.6748 -3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 4.8784 -3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 3.3885 -3.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 4.8181 -2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 35 36 1 0 19 24 1 0 32 33 1 0 26 27 1 0 33 23 1 0 37 38 1 0 38 39 1 0 39 2 1 0 2 3 2 0 35 6 1 0 27 28 1 0 24 23 1 0 27 29 1 0 26 25 1 0 27 30 1 1 31 26 1 0 35 13 1 0 6 8 1 0 8 9 1 0 9 11 1 0 11 13 1 0 23 68 1 6 9 10 2 0 31 32 1 0 11 12 2 0 19 18 1 1 2 1 1 0 36 37 1 0 36 40 1 0 37 40 1 0 25 24 2 0 33 34 1 0 18 17 1 0 40 41 1 1 23 22 1 0 40 42 1 0 17 16 2 0 35 86 1 6 22 21 1 0 6 7 1 1 21 19 1 0 13 14 1 0 5 4 1 0 15 14 2 0 16 15 1 0 4 3 1 0 19 20 1 0 8 15 1 0 31 78 1 0 31 79 1 0 26 70 1 1 25 69 1 0 32 80 1 0 32 81 1 0 33 82 1 6 22 66 1 0 22 67 1 0 21 64 1 0 21 65 1 0 28 71 1 0 28 72 1 0 28 73 1 0 29 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 18 59 1 0 18 60 1 0 34 83 1 0 34 84 1 0 34 85 1 0 17 58 1 0 16 57 1 0 5 49 1 0 5 50 1 0 4 47 1 0 4 48 1 0 3 46 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 8 54 1 1 13 55 1 6 1 43 1 0 1 44 1 0 1 45 1 0 37 88 1 1 36 87 1 6 41 93 1 0 41 94 1 0 41 95 1 0 42 96 1 0 42 97 1 0 42 98 1 0 7 51 1 0 7 52 1 0 7 53 1 0 14 56 1 0 20 61 1 0 20 62 1 0 20 63 1 0 M END 3D SDF for NP0043352 (nudibaccatumone)Mrv1652306212102473D 98103 0 0 0 0 999 V2000 -0.6646 -1.3892 -5.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -0.4237 -4.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.8239 -3.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 -0.0070 -3.3574 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8778 -0.0582 -1.8173 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7176 0.5702 -0.9646 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4278 -0.2681 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 0.4321 0.5721 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2973 1.3308 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3948 0.9524 1.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 2.8001 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 3.7021 0.7532 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 2.9543 0.0487 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6961 2.3216 1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 1.0422 1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2471 0.3243 2.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 -0.9628 2.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -1.6482 3.8330 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3794 -2.7900 3.3453 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0766 -3.3813 4.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -3.9189 2.6180 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2371 -3.6339 1.1293 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1421 -2.9913 0.9642 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4019 -2.3341 2.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3938 -1.4535 2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -0.9713 1.5828 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3785 0.5629 1.2641 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6105 1.0808 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.9316 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 1.3007 2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -1.8236 0.3087 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6790 -3.3318 0.5553 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2635 -3.9495 0.4881 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3027 -5.3152 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5496 2.1366 -1.2772 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3575 2.4751 -2.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6081 2.6908 -3.6269 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7968 1.9672 -4.6628 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6428 0.9510 -5.4520 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0753 3.8374 -2.7865 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0048 5.0112 -2.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 4.2478 -2.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 -0.9893 -5.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 -2.3635 -4.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 -1.5563 -6.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 -1.8588 -3.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7421 -0.4194 -3.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 1.0294 -3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8191 0.4371 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 -1.1069 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.1830 -2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 0.0314 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -1.3299 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 -0.5987 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 4.0127 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 2.9030 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 0.8964 2.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 -1.5793 2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -2.0590 4.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -0.8984 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 -3.8494 5.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 -2.6108 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -4.1458 4.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 -3.9765 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -4.8992 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -4.5320 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 -2.9298 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -2.2071 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -1.0463 3.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4077 -1.0905 2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5308 0.8273 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 2.1748 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 0.6777 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 2.0194 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 0.6089 1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 0.4912 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 1.1353 2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -1.5933 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 -1.5524 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 -3.5593 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -3.8287 -0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -4.1516 -0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -5.8777 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.9275 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 -5.2133 2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 2.4480 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 1.9650 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6209 2.8538 -3.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 2.7165 -5.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 1.4837 -4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 1.3472 -5.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 0.8329 -6.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 4.7059 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 5.5900 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 5.6748 -3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 4.8784 -3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 3.3885 -3.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 4.8181 -2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 35 36 1 0 0 0 0 19 24 1 0 0 0 0 32 33 1 0 0 0 0 26 27 1 0 0 0 0 33 23 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 2 1 0 0 0 0 2 3 2 0 0 0 0 35 6 1 0 0 0 0 27 28 1 0 0 0 0 24 23 1 0 0 0 0 27 29 1 0 0 0 0 26 25 1 0 0 0 0 27 30 1 1 0 0 0 31 26 1 0 0 0 0 35 13 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 13 1 0 0 0 0 23 68 1 6 0 0 0 9 10 2 0 0 0 0 31 32 1 0 0 0 0 11 12 2 0 0 0 0 19 18 1 1 0 0 0 2 1 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 40 1 0 0 0 0 25 24 2 0 0 0 0 33 34 1 0 0 0 0 18 17 1 0 0 0 0 40 41 1 1 0 0 0 23 22 1 0 0 0 0 40 42 1 0 0 0 0 17 16 2 0 0 0 0 35 86 1 6 0 0 0 22 21 1 0 0 0 0 6 7 1 1 0 0 0 21 19 1 0 0 0 0 13 14 1 0 0 0 0 5 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 4 3 1 0 0 0 0 19 20 1 0 0 0 0 8 15 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 26 70 1 1 0 0 0 25 69 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 6 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 77 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 17 58 1 0 0 0 0 16 57 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 3 46 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 8 54 1 1 0 0 0 13 55 1 6 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 37 88 1 1 0 0 0 36 87 1 6 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 14 56 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 M END > <DATABASE_ID> NP0043352 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])C([H])=C2[C@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C2=C([H])[C@]3([H])C(=O)C(=O)[C@@]2([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(C([H])([H])[H])/C([H])([H])C([H])([H])[C@@]4([H])[C@]([H])([C@]32[H])C4(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C39H56O3/c1-23-11-9-19-39(8)31-25(21-28(34(40)35(31)41)32(39)33-29(16-13-23)36(33,3)4)12-10-18-38(7)20-17-27-24(2)14-15-26(22-30(27)38)37(5,6)42/h10-12,21-22,24,26-29,31-33,42H,9,13-20H2,1-8H3/b12-10+,23-11-/t24-,26-,27-,28+,29+,31+,32+,33-,38+,39-/m1/s1 > <INCHI_KEY> XGRMXBMPNIMLIT-JKBSBODISA-N > <FORMULA> C39H56O3 > <MOLECULAR_WEIGHT> 572.874 > <EXACT_MASS> 572.422945663 > <JCHEM_ACCEPTOR_COUNT> 3 > <JCHEM_ATOM_COUNT> 98 > <JCHEM_AVERAGE_POLARIZABILITY> 67.13618115221419 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (1S,2R,3R,5S,8Z,12S,13S)-17-[(1E)-3-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-1-yl]prop-1-en-1-yl]-4,4,8,12-tetramethyltetracyclo[11.2.2.0^{2,12}.0^{3,5}]heptadeca-8,16-diene-14,15-dione > <ALOGPS_LOGP> 6.94 > <JCHEM_LOGP> 8.428286842333332 > <ALOGPS_LOGS> -6.30 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 6 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 19.192511011791577 > <JCHEM_PKA_STRONGEST_ACIDIC> 12.928721329037412 > <JCHEM_PKA_STRONGEST_BASIC> -0.9649956795699189 > <JCHEM_POLAR_SURFACE_AREA> 54.370000000000005 > <JCHEM_REFRACTIVITY> 176.12820000000008 > <JCHEM_ROTATABLE_BOND_COUNT> 4 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 2.85e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> (1S,2R,3R,5S,8Z,12S,13S)-17-[(1E)-3-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]prop-1-en-1-yl]-4,4,8,12-tetramethyltetracyclo[11.2.2.0^{2,12}.0^{3,5}]heptadeca-8,16-diene-14,15-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0043352 (nudibaccatumone)RDKit 3D 98103 0 0 0 0 0 0 0 0999 V2000 -0.6646 -1.3892 -5.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -0.4237 -4.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.8239 -3.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 -0.0070 -3.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 -0.0582 -1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 0.5702 -0.9646 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4278 -0.2681 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 0.4321 0.5721 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2973 1.3308 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3948 0.9524 1.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 2.8001 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 3.7021 0.7532 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 2.9543 0.0487 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6961 2.3216 1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 1.0422 1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2471 0.3243 2.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 -0.9628 2.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -1.6482 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3794 -2.7900 3.3453 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0766 -3.3813 4.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -3.9189 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 -3.6339 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -2.9913 0.9642 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4019 -2.3341 2.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3938 -1.4535 2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -0.9713 1.5828 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3785 0.5629 1.2641 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6105 1.0808 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 0.9316 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 1.3007 2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -1.8236 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -3.3318 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -3.9495 0.4881 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3027 -5.3152 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5496 2.1366 -1.2772 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3575 2.4751 -2.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6081 2.6908 -3.6269 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7968 1.9672 -4.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 0.9510 -5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 3.8374 -2.7865 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0048 5.0112 -2.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 4.2478 -2.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 -0.9893 -5.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 -2.3635 -4.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 -1.5563 -6.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 -1.8588 -3.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7421 -0.4194 -3.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 1.0294 -3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8191 0.4371 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 -1.1069 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.1830 -2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 0.0314 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -1.3299 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 -0.5987 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 4.0127 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 2.9030 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 0.8964 2.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 -1.5793 2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -2.0590 4.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -0.8984 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 -3.8494 5.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 -2.6108 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -4.1458 4.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 -3.9765 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -4.8992 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -4.5320 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 -2.9298 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -2.2071 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -1.0463 3.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4077 -1.0905 2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5308 0.8273 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 2.1748 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 0.6777 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 2.0194 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 0.6089 1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 0.4912 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 1.1353 2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -1.5933 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 -1.5524 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 -3.5593 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -3.8287 -0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -4.1516 -0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -5.8777 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.9275 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 -5.2133 2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 2.4480 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 1.9650 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6209 2.8538 -3.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 2.7165 -5.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 1.4837 -4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 1.3472 -5.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 0.8329 -6.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 4.7059 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 5.5900 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 5.6748 -3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 4.8784 -3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 3.3885 -3.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 4.8181 -2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 35 36 1 0 19 24 1 0 32 33 1 0 26 27 1 0 33 23 1 0 37 38 1 0 38 39 1 0 39 2 1 0 2 3 2 0 35 6 1 0 27 28 1 0 24 23 1 0 27 29 1 0 26 25 1 0 27 30 1 1 31 26 1 0 35 13 1 0 6 8 1 0 8 9 1 0 9 11 1 0 11 13 1 0 23 68 1 6 9 10 2 0 31 32 1 0 11 12 2 0 19 18 1 1 2 1 1 0 36 37 1 0 36 40 1 0 37 40 1 0 25 24 2 0 33 34 1 0 18 17 1 0 40 41 1 1 23 22 1 0 40 42 1 0 17 16 2 0 35 86 1 6 22 21 1 0 6 7 1 1 21 19 1 0 13 14 1 0 5 4 1 0 15 14 2 0 16 15 1 0 4 3 1 0 19 20 1 0 8 15 1 0 31 78 1 0 31 79 1 0 26 70 1 1 25 69 1 0 32 80 1 0 32 81 1 0 33 82 1 6 22 66 1 0 22 67 1 0 21 64 1 0 21 65 1 0 28 71 1 0 28 72 1 0 28 73 1 0 29 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 18 59 1 0 18 60 1 0 34 83 1 0 34 84 1 0 34 85 1 0 17 58 1 0 16 57 1 0 5 49 1 0 5 50 1 0 4 47 1 0 4 48 1 0 3 46 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 8 54 1 1 13 55 1 6 1 43 1 0 1 44 1 0 1 45 1 0 37 88 1 1 36 87 1 6 41 93 1 0 41 94 1 0 41 95 1 0 42 96 1 0 42 97 1 0 42 98 1 0 7 51 1 0 7 52 1 0 7 53 1 0 14 56 1 0 20 61 1 0 20 62 1 0 20 63 1 0 M END PDB for NP0043352 (nudibaccatumone)HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 -0.665 -1.389 -5.260 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.738 -0.424 -4.822 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.694 -0.824 -3.958 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.801 -0.007 -3.357 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.878 -0.058 -1.817 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.718 0.570 -0.965 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.428 -0.268 -1.173 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.099 0.432 0.572 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.297 1.331 0.864 0.00 0.00 C+0 HETATM 10 O UNK 0 -5.395 0.952 1.237 0.00 0.00 O+0 HETATM 11 C UNK 0 -3.975 2.800 0.586 0.00 0.00 C+0 HETATM 12 O UNK 0 -4.777 3.702 0.753 0.00 0.00 O+0 HETATM 13 C UNK 0 -2.560 2.954 0.049 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.696 2.322 1.114 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.984 1.042 1.427 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.247 0.324 2.441 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.403 -0.963 2.783 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.564 -1.648 3.833 0.00 0.00 C+0 HETATM 19 C UNK 0 0.379 -2.790 3.345 0.00 0.00 C+0 HETATM 20 C UNK 0 1.077 -3.381 4.589 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.383 -3.919 2.618 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.237 -3.634 1.129 0.00 0.00 C+0 HETATM 23 C UNK 0 1.142 -2.991 0.964 0.00 0.00 C+0 HETATM 24 C UNK 0 1.402 -2.334 2.299 0.00 0.00 C+0 HETATM 25 C UNK 0 2.394 -1.454 2.528 0.00 0.00 C+0 HETATM 26 C UNK 0 3.493 -0.971 1.583 0.00 0.00 C+0 HETATM 27 C UNK 0 3.378 0.563 1.264 0.00 0.00 C+0 HETATM 28 C UNK 0 4.611 1.081 0.510 0.00 0.00 C+0 HETATM 29 C UNK 0 2.118 0.932 0.475 0.00 0.00 C+0 HETATM 30 O UNK 0 3.351 1.301 2.499 0.00 0.00 O+0 HETATM 31 C UNK 0 3.726 -1.824 0.309 0.00 0.00 C+0 HETATM 32 C UNK 0 3.679 -3.332 0.555 0.00 0.00 C+0 HETATM 33 C UNK 0 2.264 -3.950 0.488 0.00 0.00 C+0 HETATM 34 C UNK 0 2.303 -5.315 1.184 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.550 2.137 -1.277 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.357 2.475 -2.147 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.608 2.691 -3.627 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.797 1.967 -4.663 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.643 0.951 -5.452 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.075 3.837 -2.787 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.005 5.011 -2.591 0.00 0.00 C+0 HETATM 42 C UNK 0 0.372 4.248 -2.925 0.00 0.00 C+0 HETATM 43 H UNK 0 0.326 -0.989 -5.019 0.00 0.00 H+0 HETATM 44 H UNK 0 -0.755 -2.364 -4.768 0.00 0.00 H+0 HETATM 45 H UNK 0 -0.721 -1.556 -6.340 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.674 -1.859 -3.615 0.00 0.00 H+0 HETATM 47 H UNK 0 -4.742 -0.419 -3.745 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.784 1.029 -3.693 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.819 0.437 -1.546 0.00 0.00 H+0 HETATM 50 H UNK 0 -4.005 -1.107 -1.514 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.021 -0.183 -2.179 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.616 0.031 -0.505 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.622 -1.330 -0.984 0.00 0.00 H+0 HETATM 54 H UNK 0 -3.349 -0.599 0.834 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.325 4.013 -0.073 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.919 2.903 1.599 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.473 0.896 2.953 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.168 -1.579 2.323 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.261 -2.059 4.577 0.00 0.00 H+0 HETATM 60 H UNK 0 0.030 -0.898 4.373 0.00 0.00 H+0 HETATM 61 H UNK 0 0.346 -3.849 5.259 0.00 0.00 H+0 HETATM 62 H UNK 0 1.603 -2.611 5.163 0.00 0.00 H+0 HETATM 63 H UNK 0 1.813 -4.146 4.316 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.437 -3.977 2.912 0.00 0.00 H+0 HETATM 65 H UNK 0 0.054 -4.899 2.844 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.375 -4.532 0.520 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.013 -2.930 0.809 0.00 0.00 H+0 HETATM 68 H UNK 0 1.026 -2.207 0.204 0.00 0.00 H+0 HETATM 69 H UNK 0 2.483 -1.046 3.535 0.00 0.00 H+0 HETATM 70 H UNK 0 4.408 -1.091 2.185 0.00 0.00 H+0 HETATM 71 H UNK 0 5.531 0.827 1.048 0.00 0.00 H+0 HETATM 72 H UNK 0 4.590 2.175 0.437 0.00 0.00 H+0 HETATM 73 H UNK 0 4.676 0.678 -0.505 0.00 0.00 H+0 HETATM 74 H UNK 0 2.032 2.019 0.367 0.00 0.00 H+0 HETATM 75 H UNK 0 1.218 0.609 1.002 0.00 0.00 H+0 HETATM 76 H UNK 0 2.109 0.491 -0.526 0.00 0.00 H+0 HETATM 77 H UNK 0 2.490 1.135 2.919 0.00 0.00 H+0 HETATM 78 H UNK 0 4.732 -1.593 -0.066 0.00 0.00 H+0 HETATM 79 H UNK 0 3.041 -1.552 -0.500 0.00 0.00 H+0 HETATM 80 H UNK 0 4.160 -3.559 1.516 0.00 0.00 H+0 HETATM 81 H UNK 0 4.294 -3.829 -0.207 0.00 0.00 H+0 HETATM 82 H UNK 0 2.054 -4.152 -0.573 0.00 0.00 H+0 HETATM 83 H UNK 0 1.378 -5.878 1.028 0.00 0.00 H+0 HETATM 84 H UNK 0 3.117 -5.928 0.780 0.00 0.00 H+0 HETATM 85 H UNK 0 2.471 -5.213 2.260 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.450 2.448 -1.826 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.458 1.965 -1.819 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.621 2.854 -3.986 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.427 2.716 -5.374 0.00 0.00 H+0 HETATM 90 H UNK 0 0.082 1.484 -4.221 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.646 1.347 -5.651 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.190 0.833 -6.446 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.049 4.706 -2.468 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.713 5.590 -1.709 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.957 5.675 -3.462 0.00 0.00 H+0 HETATM 96 H UNK 0 0.506 4.878 -3.810 0.00 0.00 H+0 HETATM 97 H UNK 0 1.044 3.389 -3.018 0.00 0.00 H+0 HETATM 98 H UNK 0 0.688 4.818 -2.045 0.00 0.00 H+0 CONECT 1 2 43 44 45 CONECT 2 39 3 1 CONECT 3 2 4 46 CONECT 4 5 3 47 48 CONECT 5 6 4 49 50 CONECT 6 5 35 8 7 CONECT 7 6 51 52 53 CONECT 8 6 9 15 54 CONECT 9 8 11 10 CONECT 10 9 CONECT 11 9 13 12 CONECT 12 11 CONECT 13 35 11 14 55 CONECT 14 13 15 56 CONECT 15 14 16 8 CONECT 16 17 15 57 CONECT 17 18 16 58 CONECT 18 19 17 59 60 CONECT 19 24 18 21 20 CONECT 20 19 61 62 63 CONECT 21 22 19 64 65 CONECT 22 23 21 66 67 CONECT 23 33 24 68 22 CONECT 24 19 23 25 CONECT 25 26 24 69 CONECT 26 27 25 31 70 CONECT 27 26 28 29 30 CONECT 28 27 71 72 73 CONECT 29 27 74 75 76 CONECT 30 27 77 CONECT 31 26 32 78 79 CONECT 32 33 31 80 81 CONECT 33 32 23 34 82 CONECT 34 33 83 84 85 CONECT 35 36 6 13 86 CONECT 36 35 37 40 87 CONECT 37 38 36 40 88 CONECT 38 37 39 89 90 CONECT 39 38 2 91 92 CONECT 40 36 37 41 42 CONECT 41 40 93 94 95 CONECT 42 40 96 97 98 CONECT 43 1 CONECT 44 1 CONECT 45 1 CONECT 46 3 CONECT 47 4 CONECT 48 4 CONECT 49 5 CONECT 50 5 CONECT 51 7 CONECT 52 7 CONECT 53 7 CONECT 54 8 CONECT 55 13 CONECT 56 14 CONECT 57 16 CONECT 58 17 CONECT 59 18 CONECT 60 18 CONECT 61 20 CONECT 62 20 CONECT 63 20 CONECT 64 21 CONECT 65 21 CONECT 66 22 CONECT 67 22 CONECT 68 23 CONECT 69 25 CONECT 70 26 CONECT 71 28 CONECT 72 28 CONECT 73 28 CONECT 74 29 CONECT 75 29 CONECT 76 29 CONECT 77 30 CONECT 78 31 CONECT 79 31 CONECT 80 32 CONECT 81 32 CONECT 82 33 CONECT 83 34 CONECT 84 34 CONECT 85 34 CONECT 86 35 CONECT 87 36 CONECT 88 37 CONECT 89 38 CONECT 90 38 CONECT 91 39 CONECT 92 39 CONECT 93 41 CONECT 94 41 CONECT 95 41 CONECT 96 42 CONECT 97 42 CONECT 98 42 MASTER 0 0 0 0 0 0 0 0 98 0 206 0 END SMILES for NP0043352 (nudibaccatumone)[H]OC(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])C([H])=C2[C@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C2=C([H])[C@]3([H])C(=O)C(=O)[C@@]2([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(C([H])([H])[H])/C([H])([H])C([H])([H])[C@@]4([H])[C@]([H])([C@]32[H])C4(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H] INCHI for NP0043352 (nudibaccatumone)InChI=1S/C39H56O3/c1-23-11-9-19-39(8)31-25(21-28(34(40)35(31)41)32(39)33-29(16-13-23)36(33,3)4)12-10-18-38(7)20-17-27-24(2)14-15-26(22-30(27)38)37(5,6)42/h10-12,21-22,24,26-29,31-33,42H,9,13-20H2,1-8H3/b12-10+,23-11-/t24-,26-,27-,28+,29+,31+,32+,33-,38+,39-/m1/s1 3D Structure for NP0043352 (nudibaccatumone) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C39H56O3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 572.8740 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 572.42295 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1S,2R,3R,5S,8Z,12S,13S)-17-[(1E)-3-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-1-yl]prop-1-en-1-yl]-4,4,8,12-tetramethyltetracyclo[11.2.2.0^{2,12}.0^{3,5}]heptadeca-8,16-diene-14,15-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1S,2R,3R,5S,8Z,12S,13S)-17-[(1E)-3-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]prop-1-en-1-yl]-4,4,8,12-tetramethyltetracyclo[11.2.2.0^{2,12}.0^{3,5}]heptadeca-8,16-diene-14,15-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]OC(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])C([H])=C2[C@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C2=C([H])[C@]3([H])C(=O)C(=O)[C@@]2([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(C([H])([H])[H])/C([H])([H])C([H])([H])[C@@]4([H])[C@]([H])([C@]32[H])C4(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C39H56O3/c1-23-11-9-19-39(8)31-25(21-28(34(40)35(31)41)32(39)33-29(16-13-23)36(33,3)4)12-10-18-38(7)20-17-27-24(2)14-15-26(22-30(27)38)37(5,6)42/h10-12,21-22,24,26-29,31-33,42H,9,13-20H2,1-8H3/b12-10+,23-11-/t24-,26-,27-,28+,29+,31+,32+,33-,38+,39-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | XGRMXBMPNIMLIT-JKBSBODISA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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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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