Showing NP-Card for Spirodienal B (NP0008542)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 06:06:17 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:00:43 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0008542 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Spirodienal B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Spirodienal B is found in Sorangium cellulosum. It was first documented in 2002 (PMID: 28267306). Based on a literature review very few articles have been published on (4Z)-7-hydroxy-8-[(2S,3S,5S,6R,8R,9R,10R)-5-hydroxy-8-[(6E)-3-hydroxy-4,6-dimethylnon-6-en-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]Undecan-2-yl]-6-methylnona-2,4-dienal (PMID: 19557360) (PMID: 26389440) (PMID: 26389428) (PMID: 26389376). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0008542 (Spirodienal B)Mrv1652307012119563D 96 97 0 0 0 0 999 V2000 9.5831 0.9839 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0162 -0.4189 -0.2570 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0471 -0.2710 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7693 -0.6852 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2944 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 -0.5351 1.8372 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6800 0.4040 1.6263 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2496 1.7530 1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 -0.1444 0.6860 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2704 -1.3714 1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 0.7321 0.5590 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6591 2.1045 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2675 0.0943 -0.0996 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3138 1.0843 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 0.7295 -0.5744 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6879 0.2741 -2.0094 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0678 -1.0310 -1.8801 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2263 -1.6779 -3.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 -2.9760 -2.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.6179 -1.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1476 0.0387 -2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4241 -0.2530 0.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -0.3092 0.7516 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4919 -1.4334 0.2252 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8608 -1.3782 -1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6044 -1.9425 1.0423 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1844 -2.4221 2.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9063 -1.2335 1.1091 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7882 -2.1102 2.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6656 -1.3078 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -0.2452 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0903 1.1089 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6370 2.1404 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5375 3.4966 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0303 4.4870 -0.8769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 0.9860 0.9815 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6819 1.1873 2.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 2.2282 0.5662 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7210 2.0175 -0.6620 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4543 2.1205 -1.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 1.2596 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 1.6665 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1388 0.8696 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9068 -1.0061 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6413 -0.7859 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3218 0.1823 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 -0.5214 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 -1.9966 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 -1.9789 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4193 -0.2328 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -1.5716 2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.5048 2.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 1.7141 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 2.0405 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 2.5545 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -0.2538 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -2.0714 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 0.8998 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 2.8606 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 2.5586 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 2.1556 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 -0.6812 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 0.2104 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 1.0098 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -1.7242 -1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 -3.4877 -3.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 -3.5843 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -3.0585 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 -1.6038 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 -0.4065 -3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 1.1083 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 -0.1824 -2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 -0.6941 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -2.3235 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5441 -2.2255 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -0.4163 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9619 -1.5768 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9245 -2.9817 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -3.2466 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9673 -0.2605 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6131 -3.1317 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4376 -1.8626 3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8373 -1.8451 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8088 -2.2836 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7406 -0.3504 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 1.3706 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1571 1.9611 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0018 3.6541 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 0.9610 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5633 1.8863 2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 1.5590 3.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 0.2268 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 2.6592 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 2.9918 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 2.8935 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 2.2746 -2.5872 H 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 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 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 23 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 20 13 1 0 0 0 0 39 15 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 3 46 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 50 1 0 0 0 0 6 51 1 0 0 0 0 7 52 1 1 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 8 55 1 0 0 0 0 9 56 1 6 0 0 0 10 57 1 0 0 0 0 11 58 1 1 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 12 61 1 0 0 0 0 13 62 1 1 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 65 1 1 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 69 1 1 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 23 73 1 1 0 0 0 24 74 1 6 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 6 0 0 0 27 79 1 0 0 0 0 28 80 1 1 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 84 1 0 0 0 0 31 85 1 0 0 0 0 32 86 1 0 0 0 0 33 87 1 0 0 0 0 34 88 1 0 0 0 0 36 89 1 6 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 37 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 39 95 1 6 0 0 0 40 96 1 0 0 0 0 M END 3D MOL for NP0008542 (Spirodienal B)RDKit 3D 96 97 0 0 0 0 0 0 0 0999 V2000 9.5831 0.9839 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0162 -0.4189 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0471 -0.2710 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7693 -0.6852 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2944 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 -0.5351 1.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 0.4040 1.6263 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2496 1.7530 1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 -0.1444 0.6860 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2704 -1.3714 1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 0.7321 0.5590 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6591 2.1045 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2675 0.0943 -0.0996 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3138 1.0843 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 0.7295 -0.5744 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6879 0.2741 -2.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -1.0310 -1.8801 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2263 -1.6779 -3.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 -2.9760 -2.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.6179 -1.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1476 0.0387 -2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4241 -0.2530 0.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -0.3092 0.7516 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4919 -1.4334 0.2252 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8608 -1.3782 -1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6044 -1.9425 1.0423 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1844 -2.4221 2.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9063 -1.2335 1.1091 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7882 -2.1102 2.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6656 -1.3078 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -0.2452 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0903 1.1089 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6370 2.1404 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5375 3.4966 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0303 4.4870 -0.8769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 0.9860 0.9815 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6819 1.1873 2.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 2.2282 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 2.0175 -0.6620 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4543 2.1205 -1.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 1.2596 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 1.6665 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1388 0.8696 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9068 -1.0061 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6413 -0.7859 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3218 0.1823 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 -0.5214 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 -1.9966 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 -1.9789 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4193 -0.2328 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -1.5716 2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.5048 2.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 1.7141 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 2.0405 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 2.5545 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -0.2538 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -2.0714 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 0.8998 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 2.8606 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 2.5586 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 2.1556 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 -0.6812 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 0.2104 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 1.0098 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -1.7242 -1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 -3.4877 -3.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 -3.5843 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -3.0585 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 -1.6038 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 -0.4065 -3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 1.1083 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 -0.1824 -2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 -0.6941 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -2.3235 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5441 -2.2255 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -0.4163 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9619 -1.5768 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9245 -2.9817 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -3.2466 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9673 -0.2605 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6131 -3.1317 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4376 -1.8626 3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8373 -1.8451 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8088 -2.2836 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7406 -0.3504 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 1.3706 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1571 1.9611 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0018 3.6541 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 0.9610 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5633 1.8863 2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 1.5590 3.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 0.2268 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 2.6592 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 2.9918 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 2.8935 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 2.2746 -2.5872 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 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 15 14 1 1 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 15 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 23 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 20 13 1 0 39 15 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 5 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 1 8 53 1 0 8 54 1 0 8 55 1 0 9 56 1 6 10 57 1 0 11 58 1 1 12 59 1 0 12 60 1 0 12 61 1 0 13 62 1 1 16 63 1 0 16 64 1 0 17 65 1 1 19 66 1 0 19 67 1 0 19 68 1 0 20 69 1 1 21 70 1 0 21 71 1 0 21 72 1 0 23 73 1 1 24 74 1 6 25 75 1 0 25 76 1 0 25 77 1 0 26 78 1 6 27 79 1 0 28 80 1 1 29 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 31 85 1 0 32 86 1 0 33 87 1 0 34 88 1 0 36 89 1 6 37 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 6 40 96 1 0 M END 3D SDF for NP0008542 (Spirodienal B)Mrv1652307012119563D 96 97 0 0 0 0 999 V2000 9.5831 0.9839 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0162 -0.4189 -0.2570 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0471 -0.2710 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7693 -0.6852 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2944 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 -0.5351 1.8372 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6800 0.4040 1.6263 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2496 1.7530 1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 -0.1444 0.6860 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2704 -1.3714 1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 0.7321 0.5590 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6591 2.1045 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2675 0.0943 -0.0996 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3138 1.0843 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 0.7295 -0.5744 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6879 0.2741 -2.0094 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0678 -1.0310 -1.8801 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2263 -1.6779 -3.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 -2.9760 -2.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.6179 -1.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1476 0.0387 -2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4241 -0.2530 0.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -0.3092 0.7516 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4919 -1.4334 0.2252 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8608 -1.3782 -1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6044 -1.9425 1.0423 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1844 -2.4221 2.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9063 -1.2335 1.1091 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7882 -2.1102 2.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6656 -1.3078 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -0.2452 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0903 1.1089 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6370 2.1404 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5375 3.4966 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0303 4.4870 -0.8769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 0.9860 0.9815 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6819 1.1873 2.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 2.2282 0.5662 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7210 2.0175 -0.6620 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4543 2.1205 -1.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 1.2596 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 1.6665 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1388 0.8696 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9068 -1.0061 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6413 -0.7859 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3218 0.1823 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 -0.5214 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 -1.9966 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 -1.9789 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4193 -0.2328 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -1.5716 2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.5048 2.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 1.7141 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 2.0405 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 2.5545 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -0.2538 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -2.0714 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 0.8998 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 2.8606 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 2.5586 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 2.1556 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 -0.6812 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 0.2104 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 1.0098 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -1.7242 -1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 -3.4877 -3.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 -3.5843 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -3.0585 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 -1.6038 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 -0.4065 -3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 1.1083 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 -0.1824 -2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 -0.6941 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -2.3235 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5441 -2.2255 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -0.4163 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9619 -1.5768 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9245 -2.9817 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -3.2466 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9673 -0.2605 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6131 -3.1317 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4376 -1.8626 3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8373 -1.8451 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8088 -2.2836 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7406 -0.3504 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 1.3706 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1571 1.9611 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0018 3.6541 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 0.9610 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5633 1.8863 2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 1.5590 3.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 0.2268 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 2.6592 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 2.9918 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 2.8935 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 2.2746 -2.5872 H 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 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 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 23 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 20 13 1 0 0 0 0 39 15 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 3 46 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 50 1 0 0 0 0 6 51 1 0 0 0 0 7 52 1 1 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 8 55 1 0 0 0 0 9 56 1 6 0 0 0 10 57 1 0 0 0 0 11 58 1 1 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 12 61 1 0 0 0 0 13 62 1 1 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 65 1 1 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 69 1 1 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 23 73 1 1 0 0 0 24 74 1 6 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 6 0 0 0 27 79 1 0 0 0 0 28 80 1 1 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 84 1 0 0 0 0 31 85 1 0 0 0 0 32 86 1 0 0 0 0 33 87 1 0 0 0 0 34 88 1 0 0 0 0 36 89 1 6 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 37 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 39 95 1 6 0 0 0 40 96 1 0 0 0 0 M END > <DATABASE_ID> NP0008542 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]([H])([C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])=O)C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])O[C@]2(O[C@]([H])([C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[H])\C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])C2([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]1([H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C33H56O7/c1-10-14-20(2)17-22(4)30(37)26(8)32-24(6)27(38-9)19-33(40-32)28(35)18-23(5)31(39-33)25(7)29(36)21(3)15-12-11-13-16-34/h11-16,21-32,35-37H,10,17-19H2,1-9H3/b13-11+,15-12-,20-14+/t21-,22-,23+,24-,25-,26-,27-,28+,29+,30-,31+,32+,33-/m1/s1 > <INCHI_KEY> HIBXHLLAIDYISL-QKPYIBRLSA-N > <FORMULA> C33H56O7 > <MOLECULAR_WEIGHT> 564.804 > <EXACT_MASS> 564.402604143 > <JCHEM_ACCEPTOR_COUNT> 7 > <JCHEM_ATOM_COUNT> 96 > <JCHEM_AVERAGE_POLARIZABILITY> 65.863593789703 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 3 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2E,4Z,6R,7S,8R)-7-hydroxy-8-[(2S,3S,5S,6R,8R,9R,10R)-5-hydroxy-8-[(2R,3R,4R,6E)-3-hydroxy-4,6-dimethylnon-6-en-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal > <ALOGPS_LOGP> 5.05 > <JCHEM_LOGP> 5.450117311 > <ALOGPS_LOGS> -4.91 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 14.321593535467997 > <JCHEM_PKA_STRONGEST_ACIDIC> 13.196862092284707 > <JCHEM_PKA_STRONGEST_BASIC> -2.964827369386155 > <JCHEM_POLAR_SURFACE_AREA> 105.45 > <JCHEM_REFRACTIVITY> 161.82850000000005 > <JCHEM_ROTATABLE_BOND_COUNT> 13 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.91e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2E,4Z,6R,7S,8R)-7-hydroxy-8-[(2S,3S,5S,6R,8R,9R,10R)-5-hydroxy-8-[(2R,3R,4R,6E)-3-hydroxy-4,6-dimethylnon-6-en-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0008542 (Spirodienal B)RDKit 3D 96 97 0 0 0 0 0 0 0 0999 V2000 9.5831 0.9839 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0162 -0.4189 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0471 -0.2710 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7693 -0.6852 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2944 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 -0.5351 1.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 0.4040 1.6263 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2496 1.7530 1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 -0.1444 0.6860 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2704 -1.3714 1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 0.7321 0.5590 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6591 2.1045 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2675 0.0943 -0.0996 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3138 1.0843 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 0.7295 -0.5744 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6879 0.2741 -2.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -1.0310 -1.8801 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2263 -1.6779 -3.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 -2.9760 -2.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.6179 -1.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1476 0.0387 -2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4241 -0.2530 0.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -0.3092 0.7516 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4919 -1.4334 0.2252 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8608 -1.3782 -1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6044 -1.9425 1.0423 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1844 -2.4221 2.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9063 -1.2335 1.1091 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7882 -2.1102 2.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6656 -1.3078 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -0.2452 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0903 1.1089 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6370 2.1404 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5375 3.4966 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0303 4.4870 -0.8769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 0.9860 0.9815 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6819 1.1873 2.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 2.2282 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 2.0175 -0.6620 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4543 2.1205 -1.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 1.2596 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 1.6665 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1388 0.8696 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9068 -1.0061 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6413 -0.7859 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3218 0.1823 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 -0.5214 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 -1.9966 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 -1.9789 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4193 -0.2328 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -1.5716 2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.5048 2.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 1.7141 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 2.0405 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 2.5545 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -0.2538 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -2.0714 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 0.8998 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 2.8606 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 2.5586 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 2.1556 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 -0.6812 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 0.2104 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 1.0098 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -1.7242 -1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 -3.4877 -3.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 -3.5843 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -3.0585 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 -1.6038 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 -0.4065 -3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 1.1083 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 -0.1824 -2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 -0.6941 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -2.3235 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5441 -2.2255 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -0.4163 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9619 -1.5768 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9245 -2.9817 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -3.2466 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9673 -0.2605 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6131 -3.1317 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4376 -1.8626 3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8373 -1.8451 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8088 -2.2836 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7406 -0.3504 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 1.3706 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1571 1.9611 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0018 3.6541 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 0.9610 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5633 1.8863 2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 1.5590 3.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 0.2268 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 2.6592 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 2.9918 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 2.8935 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 2.2746 -2.5872 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 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 15 14 1 1 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 15 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 23 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 20 13 1 0 39 15 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 5 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 1 8 53 1 0 8 54 1 0 8 55 1 0 9 56 1 6 10 57 1 0 11 58 1 1 12 59 1 0 12 60 1 0 12 61 1 0 13 62 1 1 16 63 1 0 16 64 1 0 17 65 1 1 19 66 1 0 19 67 1 0 19 68 1 0 20 69 1 1 21 70 1 0 21 71 1 0 21 72 1 0 23 73 1 1 24 74 1 6 25 75 1 0 25 76 1 0 25 77 1 0 26 78 1 6 27 79 1 0 28 80 1 1 29 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 31 85 1 0 32 86 1 0 33 87 1 0 34 88 1 0 36 89 1 6 37 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 6 40 96 1 0 M END PDB for NP0008542 (Spirodienal B)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 9.583 0.984 -0.578 0.00 0.00 C+0 HETATM 2 C UNK 0 9.016 -0.419 -0.257 0.00 0.00 C+0 HETATM 3 C UNK 0 8.047 -0.271 0.830 0.00 0.00 C+0 HETATM 4 C UNK 0 6.769 -0.685 0.683 0.00 0.00 C+0 HETATM 5 C UNK 0 6.398 -1.294 -0.615 0.00 0.00 C+0 HETATM 6 C UNK 0 5.852 -0.535 1.837 0.00 0.00 C+0 HETATM 7 C UNK 0 4.680 0.404 1.626 0.00 0.00 C+0 HETATM 8 C UNK 0 5.250 1.753 1.307 0.00 0.00 C+0 HETATM 9 C UNK 0 3.658 -0.144 0.686 0.00 0.00 C+0 HETATM 10 O UNK 0 3.270 -1.371 1.274 0.00 0.00 O+0 HETATM 11 C UNK 0 2.460 0.732 0.559 0.00 0.00 C+0 HETATM 12 C UNK 0 2.659 2.104 0.015 0.00 0.00 C+0 HETATM 13 C UNK 0 1.268 0.094 -0.100 0.00 0.00 C+0 HETATM 14 O UNK 0 0.314 1.084 -0.091 0.00 0.00 O+0 HETATM 15 C UNK 0 -0.935 0.730 -0.574 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.688 0.274 -2.009 0.00 0.00 C+0 HETATM 17 C UNK 0 0.068 -1.031 -1.880 0.00 0.00 C+0 HETATM 18 O UNK 0 0.226 -1.678 -3.078 0.00 0.00 O+0 HETATM 19 C UNK 0 -0.241 -2.976 -2.979 0.00 0.00 C+0 HETATM 20 C UNK 0 1.466 -0.618 -1.360 0.00 0.00 C+0 HETATM 21 C UNK 0 2.148 0.039 -2.490 0.00 0.00 C+0 HETATM 22 O UNK 0 -1.424 -0.253 0.133 0.00 0.00 O+0 HETATM 23 C UNK 0 -2.639 -0.309 0.752 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.492 -1.433 0.225 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.861 -1.378 -1.212 0.00 0.00 C+0 HETATM 26 C UNK 0 -4.604 -1.942 1.042 0.00 0.00 C+0 HETATM 27 O UNK 0 -4.184 -2.422 2.315 0.00 0.00 O+0 HETATM 28 C UNK 0 -5.906 -1.234 1.109 0.00 0.00 C+0 HETATM 29 C UNK 0 -6.788 -2.110 2.078 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.666 -1.308 -0.167 0.00 0.00 C+0 HETATM 31 C UNK 0 -7.183 -0.245 -0.739 0.00 0.00 C+0 HETATM 32 C UNK 0 -7.090 1.109 -0.215 0.00 0.00 C+0 HETATM 33 C UNK 0 -7.637 2.140 -0.854 0.00 0.00 C+0 HETATM 34 C UNK 0 -7.537 3.497 -0.318 0.00 0.00 C+0 HETATM 35 O UNK 0 -8.030 4.487 -0.877 0.00 0.00 O+0 HETATM 36 C UNK 0 -3.317 0.986 0.982 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.682 1.187 2.441 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.574 2.228 0.566 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.721 2.018 -0.662 0.00 0.00 C+0 HETATM 40 O UNK 0 -2.454 2.120 -1.847 0.00 0.00 O+0 HETATM 41 H UNK 0 10.240 1.260 0.271 0.00 0.00 H+0 HETATM 42 H UNK 0 8.707 1.667 -0.685 0.00 0.00 H+0 HETATM 43 H UNK 0 10.139 0.870 -1.523 0.00 0.00 H+0 HETATM 44 H UNK 0 9.907 -1.006 0.083 0.00 0.00 H+0 HETATM 45 H UNK 0 8.641 -0.786 -1.214 0.00 0.00 H+0 HETATM 46 H UNK 0 8.322 0.182 1.805 0.00 0.00 H+0 HETATM 47 H UNK 0 6.227 -0.521 -1.365 0.00 0.00 H+0 HETATM 48 H UNK 0 5.527 -1.997 -0.503 0.00 0.00 H+0 HETATM 49 H UNK 0 7.196 -1.979 -1.024 0.00 0.00 H+0 HETATM 50 H UNK 0 6.419 -0.233 2.739 0.00 0.00 H+0 HETATM 51 H UNK 0 5.484 -1.572 2.074 0.00 0.00 H+0 HETATM 52 H UNK 0 4.188 0.505 2.643 0.00 0.00 H+0 HETATM 53 H UNK 0 6.368 1.714 1.569 0.00 0.00 H+0 HETATM 54 H UNK 0 5.247 2.041 0.265 0.00 0.00 H+0 HETATM 55 H UNK 0 4.906 2.555 2.026 0.00 0.00 H+0 HETATM 56 H UNK 0 4.118 -0.254 -0.304 0.00 0.00 H+0 HETATM 57 H UNK 0 3.440 -2.071 0.630 0.00 0.00 H+0 HETATM 58 H UNK 0 2.125 0.900 1.645 0.00 0.00 H+0 HETATM 59 H UNK 0 3.055 2.861 0.710 0.00 0.00 H+0 HETATM 60 H UNK 0 1.631 2.559 -0.250 0.00 0.00 H+0 HETATM 61 H UNK 0 3.290 2.156 -0.909 0.00 0.00 H+0 HETATM 62 H UNK 0 0.893 -0.681 0.641 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.605 0.210 -2.607 0.00 0.00 H+0 HETATM 64 H UNK 0 0.010 1.010 -2.468 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.403 -1.724 -1.139 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.098 -3.488 -3.975 0.00 0.00 H+0 HETATM 67 H UNK 0 0.310 -3.584 -2.232 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.310 -3.059 -2.723 0.00 0.00 H+0 HETATM 69 H UNK 0 1.963 -1.604 -1.181 0.00 0.00 H+0 HETATM 70 H UNK 0 1.792 -0.407 -3.473 0.00 0.00 H+0 HETATM 71 H UNK 0 2.023 1.108 -2.622 0.00 0.00 H+0 HETATM 72 H UNK 0 3.253 -0.182 -2.525 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.363 -0.694 1.794 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.721 -2.324 0.254 0.00 0.00 H+0 HETATM 75 H UNK 0 -4.544 -2.225 -1.412 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.280 -0.416 -1.553 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.962 -1.577 -1.829 0.00 0.00 H+0 HETATM 78 H UNK 0 -4.925 -2.982 0.566 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.623 -3.247 2.189 0.00 0.00 H+0 HETATM 80 H UNK 0 -5.967 -0.261 1.528 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.613 -3.132 1.742 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.438 -1.863 3.079 0.00 0.00 H+0 HETATM 83 H UNK 0 -7.837 -1.845 1.865 0.00 0.00 H+0 HETATM 84 H UNK 0 -6.809 -2.284 -0.659 0.00 0.00 H+0 HETATM 85 H UNK 0 -7.741 -0.350 -1.697 0.00 0.00 H+0 HETATM 86 H UNK 0 -6.596 1.371 0.707 0.00 0.00 H+0 HETATM 87 H UNK 0 -8.157 1.961 -1.775 0.00 0.00 H+0 HETATM 88 H UNK 0 -7.002 3.654 0.626 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.311 0.961 0.443 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.563 1.886 2.533 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.818 1.559 3.026 0.00 0.00 H+0 HETATM 92 H UNK 0 -4.033 0.227 2.853 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.004 2.659 1.416 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.333 2.992 0.295 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.040 2.894 -0.705 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.798 2.275 -2.587 0.00 0.00 H+0 CONECT 1 2 41 42 43 CONECT 2 1 3 44 45 CONECT 3 2 4 46 CONECT 4 3 5 6 CONECT 5 4 47 48 49 CONECT 6 4 7 50 51 CONECT 7 6 8 9 52 CONECT 8 7 53 54 55 CONECT 9 7 10 11 56 CONECT 10 9 57 CONECT 11 9 12 13 58 CONECT 12 11 59 60 61 CONECT 13 11 14 20 62 CONECT 14 13 15 CONECT 15 14 16 22 39 CONECT 16 15 17 63 64 CONECT 17 16 18 20 65 CONECT 18 17 19 CONECT 19 18 66 67 68 CONECT 20 17 21 13 69 CONECT 21 20 70 71 72 CONECT 22 15 23 CONECT 23 22 24 36 73 CONECT 24 23 25 26 74 CONECT 25 24 75 76 77 CONECT 26 24 27 28 78 CONECT 27 26 79 CONECT 28 26 29 30 80 CONECT 29 28 81 82 83 CONECT 30 28 31 84 CONECT 31 30 32 85 CONECT 32 31 33 86 CONECT 33 32 34 87 CONECT 34 33 35 88 CONECT 35 34 CONECT 36 23 37 38 89 CONECT 37 36 90 91 92 CONECT 38 36 39 93 94 CONECT 39 38 40 15 95 CONECT 40 39 96 CONECT 41 1 CONECT 42 1 CONECT 43 1 CONECT 44 2 CONECT 45 2 CONECT 46 3 CONECT 47 5 CONECT 48 5 CONECT 49 5 CONECT 50 6 CONECT 51 6 CONECT 52 7 CONECT 53 8 CONECT 54 8 CONECT 55 8 CONECT 56 9 CONECT 57 10 CONECT 58 11 CONECT 59 12 CONECT 60 12 CONECT 61 12 CONECT 62 13 CONECT 63 16 CONECT 64 16 CONECT 65 17 CONECT 66 19 CONECT 67 19 CONECT 68 19 CONECT 69 20 CONECT 70 21 CONECT 71 21 CONECT 72 21 CONECT 73 23 CONECT 74 24 CONECT 75 25 CONECT 76 25 CONECT 77 25 CONECT 78 26 CONECT 79 27 CONECT 80 28 CONECT 81 29 CONECT 82 29 CONECT 83 29 CONECT 84 30 CONECT 85 31 CONECT 86 32 CONECT 87 33 CONECT 88 34 CONECT 89 36 CONECT 90 37 CONECT 91 37 CONECT 92 37 CONECT 93 38 CONECT 94 38 CONECT 95 39 CONECT 96 40 MASTER 0 0 0 0 0 0 0 0 96 0 194 0 END SMILES for NP0008542 (Spirodienal B)[H]O[C@@]([H])([C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])=O)C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])O[C@]2(O[C@]([H])([C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[H])\C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])C2([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]1([H])C([H])([H])[H] INCHI for NP0008542 (Spirodienal B)InChI=1S/C33H56O7/c1-10-14-20(2)17-22(4)30(37)26(8)32-24(6)27(38-9)19-33(40-32)28(35)18-23(5)31(39-33)25(7)29(36)21(3)15-12-11-13-16-34/h11-16,21-32,35-37H,10,17-19H2,1-9H3/b13-11+,15-12-,20-14+/t21-,22-,23+,24-,25-,26-,27-,28+,29+,30-,31+,32+,33-/m1/s1 3D Structure for NP0008542 (Spirodienal B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C33H56O7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 564.8040 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 564.40260 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2E,4Z,6R,7S,8R)-7-hydroxy-8-[(2S,3S,5S,6R,8R,9R,10R)-5-hydroxy-8-[(2R,3R,4R,6E)-3-hydroxy-4,6-dimethylnon-6-en-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2E,4Z,6R,7S,8R)-7-hydroxy-8-[(2S,3S,5S,6R,8R,9R,10R)-5-hydroxy-8-[(2R,3R,4R,6E)-3-hydroxy-4,6-dimethylnon-6-en-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC\C=C(/C)CC(C)C(O)C(C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H](C(C)C(O)C(C)\C=C/C=C/C=O)[C@@H](C)C[C@@H]2O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C33H56O7/c1-10-14-20(2)17-22(4)30(37)26(8)32-24(6)27(38-9)19-33(40-32)28(35)18-23(5)31(39-33)25(7)29(36)21(3)15-12-11-13-16-34/h11-16,21-32,35-37H,10,17-19H2,1-9H3/b13-11+,15-12-,20-14+/t21?,22?,23-,24+,25?,26?,27+,28-,29?,30?,31-,32-,33+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | HIBXHLLAIDYISL-QKPYIBRLSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA002863 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78445579 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139583891 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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