Showing NP-Card for cochinchinoid F (NP0043536)
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Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-21 00:55:06 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-30 00:19:16 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0043536 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | cochinchinoid F | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | cochinchinoid F is found in Walsura cochinchinensis. It was first documented in 2013 (Han, M. -L., et al.). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0043536 (cochinchinoid F)Mrv1652306212102553D 98104 0 0 0 0 999 V2000 -3.5555 0.6176 5.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 1.2654 6.5682 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1152 1.3068 5.6643 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0009 2.1310 6.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -0.0944 5.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.7864 6.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 -0.4710 4.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -1.7788 3.7119 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9954 -1.6620 3.1726 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1487 -0.8898 1.8238 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9088 0.5161 2.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 1.2359 2.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 2.6828 2.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 0.7827 2.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 -1.3979 0.6935 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6811 -2.7659 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 -0.3192 -0.4731 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2202 0.2552 -1.1429 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1856 -0.7757 -1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.3849 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -1.5726 -1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 0.7616 -1.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.0262 -2.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4029 1.7352 -2.5188 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5748 2.7880 -1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 2.4661 -3.9111 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4502 3.5294 -4.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 4.9200 -3.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 5.4859 -4.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 4.5462 -4.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 3.3702 -4.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 3.0601 -4.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 2.3749 -3.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 2.8582 -3.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 1.0287 -3.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9198 0.1925 -3.7439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 0.6439 -2.4313 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2765 -0.5957 -1.4671 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0062 -1.8532 -2.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -0.8336 -0.6205 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9515 0.4247 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 0.6830 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 1.9129 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1871 0.0403 -0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -1.8847 0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4633 -2.0132 1.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9087 -2.1011 2.7792 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3950 -2.3371 2.6184 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1745 -3.8583 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -1.4979 1.3655 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4329 0.6876 6.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 -0.4426 5.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 1.1152 4.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 2.2880 6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 0.7225 7.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 1.7810 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 2.1135 5.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 3.1745 6.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 1.7406 7.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 -2.4556 4.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 -1.1597 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -2.6669 3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -1.0111 1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 2.7880 3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5511 3.1197 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 3.2109 3.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -2.7025 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -3.4908 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -3.2305 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 0.5452 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 0.9582 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 -2.0332 -2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4163 -1.2496 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 -2.2905 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 1.7502 -2.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 0.3385 -3.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 2.3674 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 3.4117 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 3.4539 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.7454 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 5.4430 -3.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 6.4904 -4.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 2.5226 -5.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 0.5646 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -2.0454 -3.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 -2.7703 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 -1.7393 -2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.1685 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5488 2.0667 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 2.7821 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9894 1.7873 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 -2.8685 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -2.9003 3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -1.1530 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -4.1274 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 -4.3655 3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 -4.2991 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -0.4684 1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 38 39 1 6 0 0 0 8 7 1 0 0 0 0 8 48 1 0 0 0 0 10 11 1 0 0 0 0 48 50 1 0 0 0 0 45 46 1 0 0 0 0 15 10 1 0 0 0 0 17 70 1 1 0 0 0 40 41 1 0 0 0 0 15 50 1 0 0 0 0 24 25 1 1 0 0 0 2 1 1 0 0 0 0 48 47 1 0 0 0 0 47 46 1 0 0 0 0 7 5 1 0 0 0 0 50 98 1 1 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 42 43 1 0 0 0 0 12 13 1 0 0 0 0 15 17 1 0 0 0 0 12 14 2 0 0 0 0 50 45 1 0 0 0 0 18 19 1 0 0 0 0 45 40 1 0 0 0 0 19 20 1 0 0 0 0 40 38 1 0 0 0 0 20 21 1 0 0 0 0 17 38 1 0 0 0 0 20 22 2 0 0 0 0 24 37 1 0 0 0 0 3 4 1 0 0 0 0 9 8 1 0 0 0 0 5 3 1 0 0 0 0 17 18 1 0 0 0 0 38 37 1 0 0 0 0 24 26 1 0 0 0 0 37 35 1 0 0 0 0 35 33 1 0 0 0 0 33 32 1 0 0 0 0 32 26 1 0 0 0 0 24 23 1 0 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 23 18 1 0 0 0 0 37 36 1 6 0 0 0 3 2 1 0 0 0 0 27 31 2 0 0 0 0 48 49 1 6 0 0 0 42 44 2 0 0 0 0 15 16 1 6 0 0 0 9 10 1 0 0 0 0 31 30 1 0 0 0 0 30 29 1 0 0 0 0 29 28 2 0 0 0 0 28 27 1 0 0 0 0 26 27 1 0 0 0 0 41 42 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 3 56 1 6 0 0 0 2 54 1 0 0 0 0 2 55 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 4 57 1 0 0 0 0 4 58 1 0 0 0 0 4 59 1 0 0 0 0 9 61 1 0 0 0 0 9 62 1 0 0 0 0 8 60 1 1 0 0 0 10 63 1 6 0 0 0 45 92 1 6 0 0 0 40 88 1 6 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 18 71 1 1 0 0 0 49 95 1 0 0 0 0 49 96 1 0 0 0 0 49 97 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 13 64 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 35 84 1 1 0 0 0 26 80 1 6 0 0 0 31 83 1 0 0 0 0 29 82 1 0 0 0 0 28 81 1 0 0 0 0 M END 3D MOL for NP0043536 (cochinchinoid F)RDKit 3D 98104 0 0 0 0 0 0 0 0999 V2000 -3.5555 0.6176 5.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 1.2654 6.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 1.3068 5.6643 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0009 2.1310 6.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -0.0944 5.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.7864 6.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 -0.4710 4.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -1.7788 3.7119 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9954 -1.6620 3.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 -0.8898 1.8238 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9088 0.5161 2.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 1.2359 2.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 2.6828 2.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 0.7827 2.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 -1.3979 0.6935 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6811 -2.7659 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 -0.3192 -0.4731 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2202 0.2552 -1.1429 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1856 -0.7757 -1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.3849 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -1.5726 -1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 0.7616 -1.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.0262 -2.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4029 1.7352 -2.5188 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5748 2.7880 -1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 2.4661 -3.9111 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4502 3.5294 -4.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 4.9200 -3.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 5.4859 -4.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 4.5462 -4.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 3.3702 -4.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 3.0601 -4.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 2.3749 -3.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 2.8582 -3.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 1.0287 -3.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9198 0.1925 -3.7439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 0.6439 -2.4313 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2765 -0.5957 -1.4671 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0062 -1.8532 -2.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -0.8336 -0.6205 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9515 0.4247 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 0.6830 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 1.9129 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1871 0.0403 -0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -1.8847 0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4633 -2.0132 1.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9087 -2.1011 2.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -2.3371 2.6184 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1745 -3.8583 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -1.4979 1.3655 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4329 0.6876 6.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 -0.4426 5.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 1.1152 4.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 2.2880 6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 0.7225 7.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 1.7810 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 2.1135 5.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 3.1745 6.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 1.7406 7.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 -2.4556 4.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 -1.1597 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -2.6669 3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -1.0111 1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 2.7880 3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5511 3.1197 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 3.2109 3.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -2.7025 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -3.4908 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -3.2305 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 0.5452 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 0.9582 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 -2.0332 -2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4163 -1.2496 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 -2.2905 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 1.7502 -2.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 0.3385 -3.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 2.3674 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 3.4117 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 3.4539 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.7454 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 5.4430 -3.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 6.4904 -4.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 2.5226 -5.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 0.5646 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -2.0454 -3.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 -2.7703 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 -1.7393 -2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.1685 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5488 2.0667 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 2.7821 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9894 1.7873 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 -2.8685 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -2.9003 3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -1.1530 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -4.1274 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 -4.3655 3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 -4.2991 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -0.4684 1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 38 39 1 6 8 7 1 0 8 48 1 0 10 11 1 0 48 50 1 0 45 46 1 0 15 10 1 0 17 70 1 1 40 41 1 0 15 50 1 0 24 25 1 1 2 1 1 0 48 47 1 0 47 46 1 0 7 5 1 0 50 98 1 1 5 6 2 0 11 12 1 0 42 43 1 0 12 13 1 0 15 17 1 0 12 14 2 0 50 45 1 0 18 19 1 0 45 40 1 0 19 20 1 0 40 38 1 0 20 21 1 0 17 38 1 0 20 22 2 0 24 37 1 0 3 4 1 0 9 8 1 0 5 3 1 0 17 18 1 0 38 37 1 0 24 26 1 0 37 35 1 0 35 33 1 0 33 32 1 0 32 26 1 0 24 23 1 0 33 34 2 0 35 36 1 0 23 18 1 0 37 36 1 6 3 2 1 0 27 31 2 0 48 49 1 6 42 44 2 0 15 16 1 6 9 10 1 0 31 30 1 0 30 29 1 0 29 28 2 0 28 27 1 0 26 27 1 0 41 42 1 0 43 89 1 0 43 90 1 0 43 91 1 0 3 56 1 6 2 54 1 0 2 55 1 0 1 51 1 0 1 52 1 0 1 53 1 0 4 57 1 0 4 58 1 0 4 59 1 0 9 61 1 0 9 62 1 0 8 60 1 1 10 63 1 6 45 92 1 6 40 88 1 6 23 75 1 0 23 76 1 0 18 71 1 1 49 95 1 0 49 96 1 0 49 97 1 0 16 67 1 0 16 68 1 0 16 69 1 0 39 85 1 0 39 86 1 0 39 87 1 0 25 77 1 0 25 78 1 0 25 79 1 0 47 93 1 0 47 94 1 0 13 64 1 0 13 65 1 0 13 66 1 0 21 72 1 0 21 73 1 0 21 74 1 0 35 84 1 1 26 80 1 6 31 83 1 0 29 82 1 0 28 81 1 0 M END 3D SDF for NP0043536 (cochinchinoid F)Mrv1652306212102553D 98104 0 0 0 0 999 V2000 -3.5555 0.6176 5.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 1.2654 6.5682 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1152 1.3068 5.6643 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0009 2.1310 6.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -0.0944 5.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.7864 6.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 -0.4710 4.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -1.7788 3.7119 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9954 -1.6620 3.1726 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1487 -0.8898 1.8238 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9088 0.5161 2.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 1.2359 2.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 2.6828 2.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 0.7827 2.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 -1.3979 0.6935 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6811 -2.7659 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 -0.3192 -0.4731 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2202 0.2552 -1.1429 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1856 -0.7757 -1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.3849 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -1.5726 -1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 0.7616 -1.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.0262 -2.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4029 1.7352 -2.5188 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5748 2.7880 -1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 2.4661 -3.9111 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4502 3.5294 -4.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 4.9200 -3.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 5.4859 -4.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 4.5462 -4.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 3.3702 -4.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 3.0601 -4.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 2.3749 -3.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 2.8582 -3.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 1.0287 -3.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9198 0.1925 -3.7439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 0.6439 -2.4313 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2765 -0.5957 -1.4671 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0062 -1.8532 -2.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -0.8336 -0.6205 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9515 0.4247 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 0.6830 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 1.9129 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1871 0.0403 -0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -1.8847 0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4633 -2.0132 1.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9087 -2.1011 2.7792 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3950 -2.3371 2.6184 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1745 -3.8583 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -1.4979 1.3655 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4329 0.6876 6.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 -0.4426 5.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 1.1152 4.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 2.2880 6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 0.7225 7.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 1.7810 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 2.1135 5.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 3.1745 6.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 1.7406 7.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 -2.4556 4.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 -1.1597 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -2.6669 3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -1.0111 1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 2.7880 3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5511 3.1197 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 3.2109 3.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -2.7025 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -3.4908 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -3.2305 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 0.5452 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 0.9582 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 -2.0332 -2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4163 -1.2496 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 -2.2905 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 1.7502 -2.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 0.3385 -3.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 2.3674 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 3.4117 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 3.4539 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.7454 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 5.4430 -3.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 6.4904 -4.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 2.5226 -5.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 0.5646 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -2.0454 -3.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 -2.7703 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 -1.7393 -2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.1685 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5488 2.0667 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 2.7821 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9894 1.7873 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 -2.8685 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -2.9003 3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -1.1530 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -4.1274 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 -4.3655 3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 -4.2991 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -0.4684 1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 38 39 1 6 0 0 0 8 7 1 0 0 0 0 8 48 1 0 0 0 0 10 11 1 0 0 0 0 48 50 1 0 0 0 0 45 46 1 0 0 0 0 15 10 1 0 0 0 0 17 70 1 1 0 0 0 40 41 1 0 0 0 0 15 50 1 0 0 0 0 24 25 1 1 0 0 0 2 1 1 0 0 0 0 48 47 1 0 0 0 0 47 46 1 0 0 0 0 7 5 1 0 0 0 0 50 98 1 1 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 42 43 1 0 0 0 0 12 13 1 0 0 0 0 15 17 1 0 0 0 0 12 14 2 0 0 0 0 50 45 1 0 0 0 0 18 19 1 0 0 0 0 45 40 1 0 0 0 0 19 20 1 0 0 0 0 40 38 1 0 0 0 0 20 21 1 0 0 0 0 17 38 1 0 0 0 0 20 22 2 0 0 0 0 24 37 1 0 0 0 0 3 4 1 0 0 0 0 9 8 1 0 0 0 0 5 3 1 0 0 0 0 17 18 1 0 0 0 0 38 37 1 0 0 0 0 24 26 1 0 0 0 0 37 35 1 0 0 0 0 35 33 1 0 0 0 0 33 32 1 0 0 0 0 32 26 1 0 0 0 0 24 23 1 0 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 23 18 1 0 0 0 0 37 36 1 6 0 0 0 3 2 1 0 0 0 0 27 31 2 0 0 0 0 48 49 1 6 0 0 0 42 44 2 0 0 0 0 15 16 1 6 0 0 0 9 10 1 0 0 0 0 31 30 1 0 0 0 0 30 29 1 0 0 0 0 29 28 2 0 0 0 0 28 27 1 0 0 0 0 26 27 1 0 0 0 0 41 42 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 3 56 1 6 0 0 0 2 54 1 0 0 0 0 2 55 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 4 57 1 0 0 0 0 4 58 1 0 0 0 0 4 59 1 0 0 0 0 9 61 1 0 0 0 0 9 62 1 0 0 0 0 8 60 1 1 0 0 0 10 63 1 6 0 0 0 45 92 1 6 0 0 0 40 88 1 6 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 18 71 1 1 0 0 0 49 95 1 0 0 0 0 49 96 1 0 0 0 0 49 97 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 13 64 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 35 84 1 1 0 0 0 26 80 1 6 0 0 0 31 83 1 0 0 0 0 29 82 1 0 0 0 0 28 81 1 0 0 0 0 M END > <DATABASE_ID> NP0043536 > <DATABASE_NAME> NP-MRD > <SMILES> [H]C1=C([H])C(=C([H])O1)[C@]1([H])OC(=O)[C@@]2([H])O[C@@]22[C@@]1(C([H])([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]1([H])[C@]3(C([H])([H])[H])[C@@]4([H])[C@@]([H])(OC([H])([H])[C@]4(C([H])([H])[H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[C@]3([H])OC(=O)C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]21C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C37H48O13/c1-10-17(2)31(41)48-23-13-24(46-19(4)39)35(8)26-22(45-18(3)38)14-34(7)28(21-11-12-43-15-21)49-32(42)30-37(34,50-30)36(26,9)29(47-20(5)40)25-27(35)33(23,6)16-44-25/h11-12,15,17,22-30H,10,13-14,16H2,1-9H3/t17-,22+,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35-,36+,37-/m1/s1 > <INCHI_KEY> MMQWLMLSXAQRPZ-OSXCTYBNSA-N > <FORMULA> C37H48O13 > <MOLECULAR_WEIGHT> 700.778 > <EXACT_MASS> 700.309491606 > <JCHEM_ACCEPTOR_COUNT> 7 > <JCHEM_ATOM_COUNT> 98 > <JCHEM_AVERAGE_POLARIZABILITY> 70.84231357017883 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (1R,2R,3S,5S,6R,9S,11R,12S,13S,14R,17R,18R,20S,21R)-3,13,20-tris(acetyloxy)-6-(furan-3-yl)-1,5,12,17-tetramethyl-8-oxo-7,10,15-trioxahexacyclo[12.6.1.0^{2,12}.0^{5,11}.0^{9,11}.0^{17,21}]henicosan-18-yl (2R)-2-methylbutanoate > <ALOGPS_LOGP> 4.15 > <JCHEM_LOGP> 3.021712807666665 > <ALOGPS_LOGS> -4.18 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 7 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> -2.8512219730994595 > <JCHEM_POLAR_SURFACE_AREA> 166.39999999999998 > <JCHEM_REFRACTIVITY> 168.59240000000003 > <JCHEM_ROTATABLE_BOND_COUNT> 11 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 4.61e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (1R,2R,3S,5S,6R,9S,11R,12S,13S,14R,17R,18R,20S,21R)-3,13,20-tris(acetyloxy)-6-(furan-3-yl)-1,5,12,17-tetramethyl-8-oxo-7,10,15-trioxahexacyclo[12.6.1.0^{2,12}.0^{5,11}.0^{9,11}.0^{17,21}]henicosan-18-yl (2R)-2-methylbutanoate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0043536 (cochinchinoid F)RDKit 3D 98104 0 0 0 0 0 0 0 0999 V2000 -3.5555 0.6176 5.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 1.2654 6.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 1.3068 5.6643 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0009 2.1310 6.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -0.0944 5.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.7864 6.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 -0.4710 4.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -1.7788 3.7119 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9954 -1.6620 3.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 -0.8898 1.8238 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9088 0.5161 2.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 1.2359 2.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 2.6828 2.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 0.7827 2.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 -1.3979 0.6935 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6811 -2.7659 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 -0.3192 -0.4731 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2202 0.2552 -1.1429 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1856 -0.7757 -1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.3849 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -1.5726 -1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 0.7616 -1.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.0262 -2.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4029 1.7352 -2.5188 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5748 2.7880 -1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 2.4661 -3.9111 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4502 3.5294 -4.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 4.9200 -3.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 5.4859 -4.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 4.5462 -4.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 3.3702 -4.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 3.0601 -4.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 2.3749 -3.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 2.8582 -3.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 1.0287 -3.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9198 0.1925 -3.7439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 0.6439 -2.4313 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2765 -0.5957 -1.4671 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0062 -1.8532 -2.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -0.8336 -0.6205 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9515 0.4247 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 0.6830 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 1.9129 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1871 0.0403 -0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -1.8847 0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4633 -2.0132 1.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9087 -2.1011 2.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -2.3371 2.6184 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1745 -3.8583 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -1.4979 1.3655 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4329 0.6876 6.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 -0.4426 5.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 1.1152 4.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 2.2880 6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 0.7225 7.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 1.7810 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 2.1135 5.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 3.1745 6.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 1.7406 7.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 -2.4556 4.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 -1.1597 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -2.6669 3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -1.0111 1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 2.7880 3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5511 3.1197 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 3.2109 3.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -2.7025 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -3.4908 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -3.2305 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 0.5452 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 0.9582 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 -2.0332 -2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4163 -1.2496 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 -2.2905 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 1.7502 -2.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 0.3385 -3.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 2.3674 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 3.4117 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 3.4539 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.7454 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 5.4430 -3.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 6.4904 -4.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 2.5226 -5.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 0.5646 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -2.0454 -3.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 -2.7703 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 -1.7393 -2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.1685 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5488 2.0667 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 2.7821 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9894 1.7873 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 -2.8685 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -2.9003 3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -1.1530 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -4.1274 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 -4.3655 3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 -4.2991 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -0.4684 1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 38 39 1 6 8 7 1 0 8 48 1 0 10 11 1 0 48 50 1 0 45 46 1 0 15 10 1 0 17 70 1 1 40 41 1 0 15 50 1 0 24 25 1 1 2 1 1 0 48 47 1 0 47 46 1 0 7 5 1 0 50 98 1 1 5 6 2 0 11 12 1 0 42 43 1 0 12 13 1 0 15 17 1 0 12 14 2 0 50 45 1 0 18 19 1 0 45 40 1 0 19 20 1 0 40 38 1 0 20 21 1 0 17 38 1 0 20 22 2 0 24 37 1 0 3 4 1 0 9 8 1 0 5 3 1 0 17 18 1 0 38 37 1 0 24 26 1 0 37 35 1 0 35 33 1 0 33 32 1 0 32 26 1 0 24 23 1 0 33 34 2 0 35 36 1 0 23 18 1 0 37 36 1 6 3 2 1 0 27 31 2 0 48 49 1 6 42 44 2 0 15 16 1 6 9 10 1 0 31 30 1 0 30 29 1 0 29 28 2 0 28 27 1 0 26 27 1 0 41 42 1 0 43 89 1 0 43 90 1 0 43 91 1 0 3 56 1 6 2 54 1 0 2 55 1 0 1 51 1 0 1 52 1 0 1 53 1 0 4 57 1 0 4 58 1 0 4 59 1 0 9 61 1 0 9 62 1 0 8 60 1 1 10 63 1 6 45 92 1 6 40 88 1 6 23 75 1 0 23 76 1 0 18 71 1 1 49 95 1 0 49 96 1 0 49 97 1 0 16 67 1 0 16 68 1 0 16 69 1 0 39 85 1 0 39 86 1 0 39 87 1 0 25 77 1 0 25 78 1 0 25 79 1 0 47 93 1 0 47 94 1 0 13 64 1 0 13 65 1 0 13 66 1 0 21 72 1 0 21 73 1 0 21 74 1 0 35 84 1 1 26 80 1 6 31 83 1 0 29 82 1 0 28 81 1 0 M END PDB for NP0043536 (cochinchinoid F)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 -3.555 0.618 5.896 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.353 1.265 6.568 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.115 1.307 5.664 0.00 0.00 C+0 HETATM 4 C UNK 0 0.001 2.131 6.304 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.599 -0.094 5.395 0.00 0.00 C+0 HETATM 6 O UNK 0 -0.002 -0.786 6.207 0.00 0.00 O+0 HETATM 7 O UNK 0 -0.910 -0.471 4.122 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.459 -1.779 3.712 0.00 0.00 C+0 HETATM 9 C UNK 0 0.995 -1.662 3.173 0.00 0.00 C+0 HETATM 10 C UNK 0 1.149 -0.890 1.824 0.00 0.00 C+0 HETATM 11 O UNK 0 0.909 0.516 2.064 0.00 0.00 O+0 HETATM 12 C UNK 0 1.963 1.236 2.541 0.00 0.00 C+0 HETATM 13 C UNK 0 1.590 2.683 2.638 0.00 0.00 C+0 HETATM 14 O UNK 0 3.063 0.783 2.819 0.00 0.00 O+0 HETATM 15 C UNK 0 0.166 -1.398 0.694 0.00 0.00 C+0 HETATM 16 C UNK 0 0.681 -2.766 0.189 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.059 -0.319 -0.473 0.00 0.00 C+0 HETATM 18 C UNK 0 1.220 0.255 -1.143 0.00 0.00 C+0 HETATM 19 O UNK 0 2.186 -0.776 -1.401 0.00 0.00 O+0 HETATM 20 C UNK 0 3.491 -0.385 -1.444 0.00 0.00 C+0 HETATM 21 C UNK 0 4.372 -1.573 -1.682 0.00 0.00 C+0 HETATM 22 O UNK 0 3.892 0.762 -1.312 0.00 0.00 O+0 HETATM 23 C UNK 0 0.962 1.026 -2.447 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.403 1.735 -2.519 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.575 2.788 -1.394 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.579 2.466 -3.911 0.00 0.00 C+0 HETATM 27 C UNK 0 0.450 3.529 -4.198 0.00 0.00 C+0 HETATM 28 C UNK 0 0.387 4.920 -3.883 0.00 0.00 C+0 HETATM 29 C UNK 0 1.545 5.486 -4.360 0.00 0.00 C+0 HETATM 30 O UNK 0 2.317 4.546 -4.960 0.00 0.00 O+0 HETATM 31 C UNK 0 1.647 3.370 -4.871 0.00 0.00 C+0 HETATM 32 O UNK 0 -1.902 3.060 -4.014 0.00 0.00 O+0 HETATM 33 C UNK 0 -3.020 2.375 -3.642 0.00 0.00 C+0 HETATM 34 O UNK 0 -4.140 2.858 -3.738 0.00 0.00 O+0 HETATM 35 C UNK 0 -2.834 1.029 -3.046 0.00 0.00 C+0 HETATM 36 O UNK 0 -1.920 0.193 -3.744 0.00 0.00 O+0 HETATM 37 C UNK 0 -1.486 0.644 -2.431 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.276 -0.596 -1.467 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.006 -1.853 -2.336 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.596 -0.834 -0.621 0.00 0.00 C+0 HETATM 41 O UNK 0 -2.951 0.425 0.014 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.283 0.683 0.145 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.480 1.913 0.977 0.00 0.00 C+0 HETATM 44 O UNK 0 -5.187 0.040 -0.366 0.00 0.00 O+0 HETATM 45 C UNK 0 -2.375 -1.885 0.489 0.00 0.00 C+0 HETATM 46 O UNK 0 -3.463 -2.013 1.432 0.00 0.00 O+0 HETATM 47 C UNK 0 -2.909 -2.101 2.779 0.00 0.00 C+0 HETATM 48 C UNK 0 -1.395 -2.337 2.618 0.00 0.00 C+0 HETATM 49 C UNK 0 -1.175 -3.858 2.483 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.210 -1.498 1.365 0.00 0.00 C+0 HETATM 51 H UNK 0 -4.433 0.688 6.547 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.376 -0.443 5.694 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.794 1.115 4.950 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.628 2.288 6.854 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.131 0.723 7.495 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.371 1.781 4.708 0.00 0.00 H+0 HETATM 57 H UNK 0 0.904 2.114 5.685 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.308 3.175 6.426 0.00 0.00 H+0 HETATM 59 H UNK 0 0.272 1.741 7.292 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.481 -2.456 4.575 0.00 0.00 H+0 HETATM 61 H UNK 0 1.603 -1.160 3.934 0.00 0.00 H+0 HETATM 62 H UNK 0 1.415 -2.667 3.058 0.00 0.00 H+0 HETATM 63 H UNK 0 2.177 -1.011 1.458 0.00 0.00 H+0 HETATM 64 H UNK 0 0.623 2.788 3.136 0.00 0.00 H+0 HETATM 65 H UNK 0 1.551 3.120 1.637 0.00 0.00 H+0 HETATM 66 H UNK 0 2.338 3.211 3.235 0.00 0.00 H+0 HETATM 67 H UNK 0 1.221 -2.703 -0.756 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.120 -3.491 0.031 0.00 0.00 H+0 HETATM 69 H UNK 0 1.380 -3.231 0.891 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.427 0.545 0.086 0.00 0.00 H+0 HETATM 71 H UNK 0 1.655 0.958 -0.420 0.00 0.00 H+0 HETATM 72 H UNK 0 4.122 -2.033 -2.641 0.00 0.00 H+0 HETATM 73 H UNK 0 5.416 -1.250 -1.711 0.00 0.00 H+0 HETATM 74 H UNK 0 4.252 -2.291 -0.866 0.00 0.00 H+0 HETATM 75 H UNK 0 1.776 1.750 -2.569 0.00 0.00 H+0 HETATM 76 H UNK 0 1.062 0.339 -3.298 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.702 2.367 -0.399 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.461 3.412 -1.552 0.00 0.00 H+0 HETATM 79 H UNK 0 0.293 3.454 -1.344 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.499 1.745 -4.737 0.00 0.00 H+0 HETATM 81 H UNK 0 -0.413 5.443 -3.377 0.00 0.00 H+0 HETATM 82 H UNK 0 1.945 6.490 -4.360 0.00 0.00 H+0 HETATM 83 H UNK 0 2.144 2.523 -5.324 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.749 0.565 -2.705 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.833 -2.045 -3.029 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.915 -2.770 -1.760 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.097 -1.739 -2.934 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.406 -1.169 -1.278 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.549 2.067 1.149 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.077 2.782 0.451 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.989 1.787 1.946 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.249 -2.869 0.029 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.425 -2.900 3.320 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.144 -1.153 3.273 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.128 -4.127 2.332 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.491 -4.365 3.403 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.755 -4.299 1.668 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.430 -0.468 1.700 0.00 0.00 H+0 CONECT 1 2 51 52 53 CONECT 2 1 3 54 55 CONECT 3 4 5 2 56 CONECT 4 3 57 58 59 CONECT 5 7 6 3 CONECT 6 5 CONECT 7 8 5 CONECT 8 7 48 9 60 CONECT 9 8 10 61 62 CONECT 10 11 15 9 63 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 64 65 66 CONECT 14 12 CONECT 15 10 50 17 16 CONECT 16 15 67 68 69 CONECT 17 70 15 38 18 CONECT 18 19 17 23 71 CONECT 19 18 20 CONECT 20 19 21 22 CONECT 21 20 72 73 74 CONECT 22 20 CONECT 23 24 18 75 76 CONECT 24 25 37 26 23 CONECT 25 24 77 78 79 CONECT 26 24 32 27 80 CONECT 27 31 28 26 CONECT 28 29 27 81 CONECT 29 30 28 82 CONECT 30 31 29 CONECT 31 27 30 83 CONECT 32 33 26 CONECT 33 35 32 34 CONECT 34 33 CONECT 35 37 33 36 84 CONECT 36 35 37 CONECT 37 24 38 35 36 CONECT 38 39 40 17 37 CONECT 39 38 85 86 87 CONECT 40 41 45 38 88 CONECT 41 40 42 CONECT 42 43 44 41 CONECT 43 42 89 90 91 CONECT 44 42 CONECT 45 46 50 40 92 CONECT 46 45 47 CONECT 47 48 46 93 94 CONECT 48 8 50 47 49 CONECT 49 48 95 96 97 CONECT 50 48 15 98 45 CONECT 51 1 CONECT 52 1 CONECT 53 1 CONECT 54 2 CONECT 55 2 CONECT 56 3 CONECT 57 4 CONECT 58 4 CONECT 59 4 CONECT 60 8 CONECT 61 9 CONECT 62 9 CONECT 63 10 CONECT 64 13 CONECT 65 13 CONECT 66 13 CONECT 67 16 CONECT 68 16 CONECT 69 16 CONECT 70 17 CONECT 71 18 CONECT 72 21 CONECT 73 21 CONECT 74 21 CONECT 75 23 CONECT 76 23 CONECT 77 25 CONECT 78 25 CONECT 79 25 CONECT 80 26 CONECT 81 28 CONECT 82 29 CONECT 83 31 CONECT 84 35 CONECT 85 39 CONECT 86 39 CONECT 87 39 CONECT 88 40 CONECT 89 43 CONECT 90 43 CONECT 91 43 CONECT 92 45 CONECT 93 47 CONECT 94 47 CONECT 95 49 CONECT 96 49 CONECT 97 49 CONECT 98 50 MASTER 0 0 0 0 0 0 0 0 98 0 208 0 END SMILES for NP0043536 (cochinchinoid F)[H]C1=C([H])C(=C([H])O1)[C@]1([H])OC(=O)[C@@]2([H])O[C@@]22[C@@]1(C([H])([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]1([H])[C@]3(C([H])([H])[H])[C@@]4([H])[C@@]([H])(OC([H])([H])[C@]4(C([H])([H])[H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[C@]3([H])OC(=O)C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]21C([H])([H])[H] INCHI for NP0043536 (cochinchinoid F)InChI=1S/C37H48O13/c1-10-17(2)31(41)48-23-13-24(46-19(4)39)35(8)26-22(45-18(3)38)14-34(7)28(21-11-12-43-15-21)49-32(42)30-37(34,50-30)36(26,9)29(47-20(5)40)25-27(35)33(23,6)16-44-25/h11-12,15,17,22-30H,10,13-14,16H2,1-9H3/t17-,22+,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35-,36+,37-/m1/s1 3D Structure for NP0043536 (cochinchinoid F) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C37H48O13 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 700.7780 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 700.30949 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1R,2R,3S,5S,6R,9S,11R,12S,13S,14R,17R,18R,20S,21R)-3,13,20-tris(acetyloxy)-6-(furan-3-yl)-1,5,12,17-tetramethyl-8-oxo-7,10,15-trioxahexacyclo[12.6.1.0^{2,12}.0^{5,11}.0^{9,11}.0^{17,21}]henicosan-18-yl (2R)-2-methylbutanoate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1R,2R,3S,5S,6R,9S,11R,12S,13S,14R,17R,18R,20S,21R)-3,13,20-tris(acetyloxy)-6-(furan-3-yl)-1,5,12,17-tetramethyl-8-oxo-7,10,15-trioxahexacyclo[12.6.1.0^{2,12}.0^{5,11}.0^{9,11}.0^{17,21}]henicosan-18-yl (2R)-2-methylbutanoate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]C1=C([H])C(=C([H])O1)[C@]1([H])OC(=O)[C@@]2([H])O[C@@]22[C@@]1(C([H])([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]1([H])[C@]3(C([H])([H])[H])[C@@]4([H])[C@@]([H])(OC([H])([H])[C@]4(C([H])([H])[H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[C@]3([H])OC(=O)C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]21C([H])([H])[H] | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C37H48O13/c1-10-17(2)31(41)48-23-13-24(46-19(4)39)35(8)26-22(45-18(3)38)14-34(7)28(21-11-12-43-15-21)49-32(42)30-37(34,50-30)36(26,9)29(47-20(5)40)25-27(35)33(23,6)16-44-25/h11-12,15,17,22-30H,10,13-14,16H2,1-9H3/t17-,22+,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35-,36+,37-/m1/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | MMQWLMLSXAQRPZ-OSXCTYBNSA-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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