Showing NP-Card for cochinchinoid D (NP0043534)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-21 00:55:00 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-30 00:19:16 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0043534 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | cochinchinoid D | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | cochinchinoid D is found in Walsura cochinchinensis. It was first documented in 2013 (Han, M. -L., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0043534 (cochinchinoid D)Mrv1652306212102553D 98103 0 0 0 0 999 V2000 3.4359 -0.5529 3.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 -0.0388 4.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 0.2057 5.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 0.0094 6.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 0.7098 5.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 0.6992 5.9713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 1.1892 3.7987 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 1.7043 3.5444 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6555 0.5207 3.2736 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3963 -0.2616 1.9529 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2123 -1.0445 2.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2615 0.6591 0.6809 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6735 1.1486 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -0.0571 -0.5322 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1928 -1.3666 -1.0128 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6333 -1.9768 -2.3196 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5583 -1.6679 -3.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -2.5149 -3.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4624 -2.0583 -4.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -3.5026 -2.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -1.4666 -2.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8449 -2.0377 -1.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 0.0656 -2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 0.5662 -3.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.5696 -4.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 -0.4509 -5.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -1.7911 -4.1808 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8057 -3.1191 -4.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 -4.3815 -4.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 -5.3279 -4.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 -4.7417 -4.8349 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -3.4086 -4.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 0.8911 -1.7011 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1953 1.4751 -2.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 2.0917 -1.1112 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0693 1.5542 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 2.2312 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 3.1876 -1.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 1.5874 -0.1495 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1771 0.7659 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 2.6422 0.5209 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5673 3.3711 1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 2.7888 0.0394 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1513 3.7670 0.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 3.5856 2.1982 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6211 2.6404 2.3162 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8956 3.5063 2.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 1.7882 1.0966 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4537 -1.4584 3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 0.1960 3.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 -0.8027 4.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 0.1295 3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -0.2270 6.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -0.8067 7.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 0.9221 7.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 2.2736 4.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.1887 4.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 0.8983 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 -0.9752 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -1.6133 2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 1.1868 1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 2.1491 -0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1641 0.4857 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 -0.3991 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -2.1150 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -1.2277 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -3.0681 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 -2.7426 -4.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8508 -1.0573 -4.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 -2.0639 -5.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 -1.7388 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -1.7177 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -3.1330 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 1.5886 -3.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -1.7257 -4.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 -4.5787 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -6.4023 -4.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 -2.8038 -4.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 0.7161 -2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7275 2.2693 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 1.9288 -3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 2.8289 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 0.9119 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 1.4016 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 0.0247 -1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 0.2332 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 2.1557 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 3.3790 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 2.6664 2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 4.0619 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 3.9556 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 3.3251 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 4.5685 2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 3.1665 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 4.1990 3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 2.9227 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 4.1179 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 1.2715 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 33 23 1 0 0 0 0 21 16 1 0 0 0 0 16 15 1 0 0 0 0 21 23 1 0 0 0 0 3 4 1 0 0 0 0 9 8 1 0 0 0 0 41 42 1 0 0 0 0 7 5 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 27 21 1 0 0 0 0 37 38 2 0 0 0 0 27 28 1 0 0 0 0 28 32 2 0 0 0 0 9 10 1 0 0 0 0 8 46 1 0 0 0 0 46 48 1 0 0 0 0 12 10 1 0 0 0 0 32 31 1 0 0 0 0 31 30 1 0 0 0 0 30 29 2 0 0 0 0 29 28 1 0 0 0 0 12 48 1 0 0 0 0 25 26 2 0 0 0 0 5 3 1 0 0 0 0 46 47 1 6 0 0 0 39 41 1 0 0 0 0 12 13 1 6 0 0 0 3 2 2 0 0 0 0 33 34 1 6 0 0 0 8 7 1 0 0 0 0 39 40 1 0 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 43 44 1 0 0 0 0 48 43 1 0 0 0 0 14 64 1 1 0 0 0 35 36 1 0 0 0 0 43 35 1 0 0 0 0 21 22 1 1 0 0 0 35 33 1 0 0 0 0 46 45 1 0 0 0 0 45 44 1 0 0 0 0 14 33 1 0 0 0 0 48 98 1 1 0 0 0 2 1 1 0 0 0 0 16 17 1 0 0 0 0 37 39 1 0 0 0 0 17 18 1 0 0 0 0 5 6 2 0 0 0 0 18 19 1 0 0 0 0 37 36 1 0 0 0 0 18 20 2 0 0 0 0 39 83 1 1 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 2 52 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 4 53 1 0 0 0 0 4 54 1 0 0 0 0 4 55 1 0 0 0 0 9 57 1 0 0 0 0 9 58 1 0 0 0 0 8 56 1 1 0 0 0 10 59 1 6 0 0 0 43 92 1 6 0 0 0 35 82 1 6 0 0 0 16 67 1 1 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 24 74 1 0 0 0 0 27 75 1 6 0 0 0 32 78 1 0 0 0 0 30 77 1 0 0 0 0 29 76 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 13 63 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 11 60 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 M END 3D MOL for NP0043534 (cochinchinoid D)RDKit 3D 98103 0 0 0 0 0 0 0 0999 V2000 3.4359 -0.5529 3.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 -0.0388 4.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 0.2057 5.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 0.0094 6.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 0.7098 5.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 0.6992 5.9713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 1.1892 3.7987 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 1.7043 3.5444 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6555 0.5207 3.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -0.2616 1.9529 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2123 -1.0445 2.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2615 0.6591 0.6809 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6735 1.1486 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -0.0571 -0.5322 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1928 -1.3666 -1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.9768 -2.3196 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5583 -1.6679 -3.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -2.5149 -3.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4624 -2.0583 -4.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -3.5026 -2.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -1.4666 -2.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8449 -2.0377 -1.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 0.0656 -2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 0.5662 -3.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.5696 -4.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 -0.4509 -5.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -1.7911 -4.1808 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8057 -3.1191 -4.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 -4.3815 -4.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 -5.3279 -4.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 -4.7417 -4.8349 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -3.4086 -4.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 0.8911 -1.7011 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1953 1.4751 -2.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 2.0917 -1.1112 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0693 1.5542 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 2.2312 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 3.1876 -1.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 1.5874 -0.1495 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1771 0.7659 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 2.6422 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 3.3711 1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 2.7888 0.0394 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1513 3.7670 0.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 3.5856 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 2.6404 2.3162 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8956 3.5063 2.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 1.7882 1.0966 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4537 -1.4584 3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 0.1960 3.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 -0.8027 4.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 0.1295 3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -0.2270 6.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -0.8067 7.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 0.9221 7.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 2.2736 4.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.1887 4.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 0.8983 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 -0.9752 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -1.6133 2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 1.1868 1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 2.1491 -0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1641 0.4857 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 -0.3991 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -2.1150 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -1.2277 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -3.0681 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 -2.7426 -4.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8508 -1.0573 -4.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 -2.0639 -5.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 -1.7388 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -1.7177 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -3.1330 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 1.5886 -3.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -1.7257 -4.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 -4.5787 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -6.4023 -4.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 -2.8038 -4.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 0.7161 -2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7275 2.2693 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 1.9288 -3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 2.8289 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 0.9119 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 1.4016 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 0.0247 -1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 0.2332 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 2.1557 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 3.3790 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 2.6664 2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 4.0619 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 3.9556 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 3.3251 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 4.5685 2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 3.1665 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 4.1990 3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 2.9227 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 4.1179 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 1.2715 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 33 23 1 0 21 16 1 0 16 15 1 0 21 23 1 0 3 4 1 0 9 8 1 0 41 42 1 0 7 5 1 0 23 24 2 0 24 25 1 0 25 27 1 0 27 21 1 0 37 38 2 0 27 28 1 0 28 32 2 0 9 10 1 0 8 46 1 0 46 48 1 0 12 10 1 0 32 31 1 0 31 30 1 0 30 29 2 0 29 28 1 0 12 48 1 0 25 26 2 0 5 3 1 0 46 47 1 6 39 41 1 0 12 13 1 6 3 2 2 0 33 34 1 6 8 7 1 0 39 40 1 0 10 11 1 0 12 14 1 0 43 44 1 0 48 43 1 0 14 64 1 1 35 36 1 0 43 35 1 0 21 22 1 1 35 33 1 0 46 45 1 0 45 44 1 0 14 33 1 0 48 98 1 1 2 1 1 0 16 17 1 0 37 39 1 0 17 18 1 0 5 6 2 0 18 19 1 0 37 36 1 0 18 20 2 0 39 83 1 1 41 87 1 0 41 88 1 0 42 89 1 0 42 90 1 0 42 91 1 0 40 84 1 0 40 85 1 0 40 86 1 0 2 52 1 0 1 49 1 0 1 50 1 0 1 51 1 0 4 53 1 0 4 54 1 0 4 55 1 0 9 57 1 0 9 58 1 0 8 56 1 1 10 59 1 6 43 92 1 6 35 82 1 6 16 67 1 1 15 65 1 0 15 66 1 0 24 74 1 0 27 75 1 6 32 78 1 0 30 77 1 0 29 76 1 0 47 95 1 0 47 96 1 0 47 97 1 0 13 61 1 0 13 62 1 0 13 63 1 0 34 79 1 0 34 80 1 0 34 81 1 0 11 60 1 0 22 71 1 0 22 72 1 0 22 73 1 0 45 93 1 0 45 94 1 0 19 68 1 0 19 69 1 0 19 70 1 0 M END 3D SDF for NP0043534 (cochinchinoid D)Mrv1652306212102553D 98103 0 0 0 0 999 V2000 3.4359 -0.5529 3.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 -0.0388 4.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 0.2057 5.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 0.0094 6.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 0.7098 5.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 0.6992 5.9713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 1.1892 3.7987 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 1.7043 3.5444 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6555 0.5207 3.2736 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3963 -0.2616 1.9529 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2123 -1.0445 2.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2615 0.6591 0.6809 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6735 1.1486 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -0.0571 -0.5322 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1928 -1.3666 -1.0128 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6333 -1.9768 -2.3196 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5583 -1.6679 -3.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -2.5149 -3.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4624 -2.0583 -4.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -3.5026 -2.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -1.4666 -2.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8449 -2.0377 -1.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 0.0656 -2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 0.5662 -3.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.5696 -4.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 -0.4509 -5.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -1.7911 -4.1808 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8057 -3.1191 -4.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 -4.3815 -4.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 -5.3279 -4.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 -4.7417 -4.8349 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -3.4086 -4.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 0.8911 -1.7011 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1953 1.4751 -2.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 2.0917 -1.1112 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0693 1.5542 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 2.2312 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 3.1876 -1.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 1.5874 -0.1495 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1771 0.7659 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 2.6422 0.5209 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5673 3.3711 1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 2.7888 0.0394 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1513 3.7670 0.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 3.5856 2.1982 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6211 2.6404 2.3162 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8956 3.5063 2.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 1.7882 1.0966 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4537 -1.4584 3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 0.1960 3.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 -0.8027 4.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 0.1295 3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -0.2270 6.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -0.8067 7.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 0.9221 7.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 2.2736 4.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.1887 4.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 0.8983 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 -0.9752 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -1.6133 2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 1.1868 1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 2.1491 -0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1641 0.4857 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 -0.3991 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -2.1150 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -1.2277 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -3.0681 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 -2.7426 -4.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8508 -1.0573 -4.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 -2.0639 -5.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 -1.7388 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -1.7177 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -3.1330 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 1.5886 -3.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -1.7257 -4.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 -4.5787 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -6.4023 -4.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 -2.8038 -4.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 0.7161 -2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7275 2.2693 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 1.9288 -3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 2.8289 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 0.9119 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 1.4016 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 0.0247 -1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 0.2332 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 2.1557 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 3.3790 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 2.6664 2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 4.0619 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 3.9556 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 3.3251 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 4.5685 2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 3.1665 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 4.1990 3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 2.9227 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 4.1179 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 1.2715 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 33 23 1 0 0 0 0 21 16 1 0 0 0 0 16 15 1 0 0 0 0 21 23 1 0 0 0 0 3 4 1 0 0 0 0 9 8 1 0 0 0 0 41 42 1 0 0 0 0 7 5 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 27 21 1 0 0 0 0 37 38 2 0 0 0 0 27 28 1 0 0 0 0 28 32 2 0 0 0 0 9 10 1 0 0 0 0 8 46 1 0 0 0 0 46 48 1 0 0 0 0 12 10 1 0 0 0 0 32 31 1 0 0 0 0 31 30 1 0 0 0 0 30 29 2 0 0 0 0 29 28 1 0 0 0 0 12 48 1 0 0 0 0 25 26 2 0 0 0 0 5 3 1 0 0 0 0 46 47 1 6 0 0 0 39 41 1 0 0 0 0 12 13 1 6 0 0 0 3 2 2 0 0 0 0 33 34 1 6 0 0 0 8 7 1 0 0 0 0 39 40 1 0 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 43 44 1 0 0 0 0 48 43 1 0 0 0 0 14 64 1 1 0 0 0 35 36 1 0 0 0 0 43 35 1 0 0 0 0 21 22 1 1 0 0 0 35 33 1 0 0 0 0 46 45 1 0 0 0 0 45 44 1 0 0 0 0 14 33 1 0 0 0 0 48 98 1 1 0 0 0 2 1 1 0 0 0 0 16 17 1 0 0 0 0 37 39 1 0 0 0 0 17 18 1 0 0 0 0 5 6 2 0 0 0 0 18 19 1 0 0 0 0 37 36 1 0 0 0 0 18 20 2 0 0 0 0 39 83 1 1 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 2 52 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 4 53 1 0 0 0 0 4 54 1 0 0 0 0 4 55 1 0 0 0 0 9 57 1 0 0 0 0 9 58 1 0 0 0 0 8 56 1 1 0 0 0 10 59 1 6 0 0 0 43 92 1 6 0 0 0 35 82 1 6 0 0 0 16 67 1 1 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 24 74 1 0 0 0 0 27 75 1 6 0 0 0 32 78 1 0 0 0 0 30 77 1 0 0 0 0 29 76 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 13 63 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 11 60 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 M END > <DATABASE_ID> NP0043534 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]1([H])C([H])([H])[C@@]([H])(OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])O[C@]3([H])[C@]2([H])[C@@]1(C([H])([H])[H])[C@@]1([H])C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C(=C([H])C(=O)[C@@]2([H])C2=C([H])OC([H])=C2[H])[C@]1(C([H])([H])[H])[C@]3([H])OC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C38H50O10/c1-10-19(3)33(42)47-27-16-26(41)37(8)25-15-28(46-21(5)39)38(9)24(14-23(40)29(38)22-12-13-44-17-22)36(25,7)32(48-34(43)20(4)11-2)30-31(37)35(27,6)18-45-30/h10,12-14,17,20,25-32,41H,11,15-16,18H2,1-9H3/b19-10+/t20-,25-,26-,27+,28+,29+,30+,31-,32+,35+,36-,37-,38-/m0/s1 > <INCHI_KEY> YOZHYLHAUAGPRJ-DPSVQISYSA-N > <FORMULA> C38H50O10 > <MOLECULAR_WEIGHT> 666.808 > <EXACT_MASS> 666.34039781 > <JCHEM_ACCEPTOR_COUNT> 6 > <JCHEM_ATOM_COUNT> 98 > <JCHEM_AVERAGE_POLARIZABILITY> 71.13745704570825 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (1R,2R,4R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-4-(acetyloxy)-6-(furan-3-yl)-18-hydroxy-1,5,10,15-tetramethyl-11-{[(2S)-2-methylbutanoyl]oxy}-7-oxo-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-16-yl (2E)-2-methylbut-2-enoate > <ALOGPS_LOGP> 5.03 > <JCHEM_LOGP> 4.9716065826666656 > <ALOGPS_LOGS> -4.59 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 6 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 14.604281134696723 > <JCHEM_PKA_STRONGEST_ACIDIC> 12.488939026912629 > <JCHEM_PKA_STRONGEST_BASIC> -2.8581464471499234 > <JCHEM_POLAR_SURFACE_AREA> 138.57 > <JCHEM_REFRACTIVITY> 175.09870000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 10 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.72e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (1R,2R,4R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-4-(acetyloxy)-6-(furan-3-yl)-18-hydroxy-1,5,10,15-tetramethyl-11-{[(2S)-2-methylbutanoyl]oxy}-7-oxo-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-16-yl (2E)-2-methylbut-2-enoate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0043534 (cochinchinoid D)RDKit 3D 98103 0 0 0 0 0 0 0 0999 V2000 3.4359 -0.5529 3.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 -0.0388 4.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 0.2057 5.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 0.0094 6.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 0.7098 5.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 0.6992 5.9713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 1.1892 3.7987 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 1.7043 3.5444 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6555 0.5207 3.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -0.2616 1.9529 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2123 -1.0445 2.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2615 0.6591 0.6809 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6735 1.1486 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -0.0571 -0.5322 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1928 -1.3666 -1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.9768 -2.3196 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5583 -1.6679 -3.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -2.5149 -3.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4624 -2.0583 -4.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -3.5026 -2.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -1.4666 -2.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8449 -2.0377 -1.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 0.0656 -2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 0.5662 -3.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.5696 -4.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 -0.4509 -5.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -1.7911 -4.1808 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8057 -3.1191 -4.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 -4.3815 -4.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 -5.3279 -4.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 -4.7417 -4.8349 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -3.4086 -4.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 0.8911 -1.7011 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1953 1.4751 -2.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 2.0917 -1.1112 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0693 1.5542 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 2.2312 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 3.1876 -1.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 1.5874 -0.1495 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1771 0.7659 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 2.6422 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 3.3711 1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 2.7888 0.0394 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1513 3.7670 0.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 3.5856 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 2.6404 2.3162 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8956 3.5063 2.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 1.7882 1.0966 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4537 -1.4584 3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 0.1960 3.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 -0.8027 4.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 0.1295 3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -0.2270 6.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -0.8067 7.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 0.9221 7.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 2.2736 4.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.1887 4.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 0.8983 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 -0.9752 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -1.6133 2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 1.1868 1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 2.1491 -0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1641 0.4857 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 -0.3991 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -2.1150 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -1.2277 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -3.0681 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 -2.7426 -4.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8508 -1.0573 -4.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 -2.0639 -5.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 -1.7388 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -1.7177 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -3.1330 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 1.5886 -3.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -1.7257 -4.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 -4.5787 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -6.4023 -4.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 -2.8038 -4.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 0.7161 -2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7275 2.2693 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 1.9288 -3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 2.8289 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 0.9119 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 1.4016 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 0.0247 -1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 0.2332 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 2.1557 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 3.3790 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 2.6664 2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 4.0619 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 3.9556 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 3.3251 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 4.5685 2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 3.1665 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 4.1990 3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 2.9227 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 4.1179 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 1.2715 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 33 23 1 0 21 16 1 0 16 15 1 0 21 23 1 0 3 4 1 0 9 8 1 0 41 42 1 0 7 5 1 0 23 24 2 0 24 25 1 0 25 27 1 0 27 21 1 0 37 38 2 0 27 28 1 0 28 32 2 0 9 10 1 0 8 46 1 0 46 48 1 0 12 10 1 0 32 31 1 0 31 30 1 0 30 29 2 0 29 28 1 0 12 48 1 0 25 26 2 0 5 3 1 0 46 47 1 6 39 41 1 0 12 13 1 6 3 2 2 0 33 34 1 6 8 7 1 0 39 40 1 0 10 11 1 0 12 14 1 0 43 44 1 0 48 43 1 0 14 64 1 1 35 36 1 0 43 35 1 0 21 22 1 1 35 33 1 0 46 45 1 0 45 44 1 0 14 33 1 0 48 98 1 1 2 1 1 0 16 17 1 0 37 39 1 0 17 18 1 0 5 6 2 0 18 19 1 0 37 36 1 0 18 20 2 0 39 83 1 1 41 87 1 0 41 88 1 0 42 89 1 0 42 90 1 0 42 91 1 0 40 84 1 0 40 85 1 0 40 86 1 0 2 52 1 0 1 49 1 0 1 50 1 0 1 51 1 0 4 53 1 0 4 54 1 0 4 55 1 0 9 57 1 0 9 58 1 0 8 56 1 1 10 59 1 6 43 92 1 6 35 82 1 6 16 67 1 1 15 65 1 0 15 66 1 0 24 74 1 0 27 75 1 6 32 78 1 0 30 77 1 0 29 76 1 0 47 95 1 0 47 96 1 0 47 97 1 0 13 61 1 0 13 62 1 0 13 63 1 0 34 79 1 0 34 80 1 0 34 81 1 0 11 60 1 0 22 71 1 0 22 72 1 0 22 73 1 0 45 93 1 0 45 94 1 0 19 68 1 0 19 69 1 0 19 70 1 0 M END PDB for NP0043534 (cochinchinoid D)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 3.436 -0.553 3.935 0.00 0.00 C+0 HETATM 2 C UNK 0 2.034 -0.039 4.025 0.00 0.00 C+0 HETATM 3 C UNK 0 1.310 0.206 5.137 0.00 0.00 C+0 HETATM 4 C UNK 0 1.773 0.009 6.551 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.098 0.710 5.037 0.00 0.00 C+0 HETATM 6 O UNK 0 -0.886 0.699 5.971 0.00 0.00 O+0 HETATM 7 O UNK 0 -0.358 1.189 3.799 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.681 1.704 3.544 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.656 0.521 3.274 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.396 -0.262 1.953 0.00 0.00 C+0 HETATM 11 O UNK 0 -1.212 -1.044 2.121 0.00 0.00 O+0 HETATM 12 C UNK 0 -2.261 0.659 0.681 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.674 1.149 0.293 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.513 -0.057 -0.532 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.193 -1.367 -1.013 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.633 -1.977 -2.320 0.00 0.00 C+0 HETATM 17 O UNK 0 -2.558 -1.668 -3.393 0.00 0.00 O+0 HETATM 18 C UNK 0 -3.612 -2.515 -3.554 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.462 -2.058 -4.699 0.00 0.00 C+0 HETATM 20 O UNK 0 -3.839 -3.503 -2.871 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.223 -1.467 -2.700 0.00 0.00 C+0 HETATM 22 C UNK 0 0.845 -2.038 -1.727 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.179 0.066 -2.696 0.00 0.00 C+0 HETATM 24 C UNK 0 0.599 0.566 -3.671 0.00 0.00 C+0 HETATM 25 C UNK 0 0.984 -0.570 -4.526 0.00 0.00 C+0 HETATM 26 O UNK 0 1.797 -0.451 -5.430 0.00 0.00 O+0 HETATM 27 C UNK 0 0.163 -1.791 -4.181 0.00 0.00 C+0 HETATM 28 C UNK 0 0.806 -3.119 -4.432 0.00 0.00 C+0 HETATM 29 C UNK 0 0.140 -4.381 -4.484 0.00 0.00 C+0 HETATM 30 C UNK 0 1.106 -5.328 -4.727 0.00 0.00 C+0 HETATM 31 O UNK 0 2.323 -4.742 -4.835 0.00 0.00 O+0 HETATM 32 C UNK 0 2.137 -3.409 -4.666 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.016 0.891 -1.701 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.195 1.475 -2.520 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.168 2.092 -1.111 0.00 0.00 C+0 HETATM 36 O UNK 0 1.069 1.554 -0.576 0.00 0.00 O+0 HETATM 37 C UNK 0 2.213 2.231 -0.868 0.00 0.00 C+0 HETATM 38 O UNK 0 2.300 3.188 -1.625 0.00 0.00 O+0 HETATM 39 C UNK 0 3.385 1.587 -0.150 0.00 0.00 C+0 HETATM 40 C UNK 0 4.177 0.766 -1.163 0.00 0.00 C+0 HETATM 41 C UNK 0 4.275 2.642 0.521 0.00 0.00 C+0 HETATM 42 C UNK 0 3.567 3.371 1.656 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.923 2.789 0.039 0.00 0.00 C+0 HETATM 44 O UNK 0 -0.151 3.767 0.772 0.00 0.00 O+0 HETATM 45 C UNK 0 -0.408 3.586 2.198 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.621 2.640 2.316 0.00 0.00 C+0 HETATM 47 C UNK 0 -2.896 3.506 2.257 0.00 0.00 C+0 HETATM 48 C UNK 0 -1.312 1.788 1.097 0.00 0.00 C+0 HETATM 49 H UNK 0 3.454 -1.458 3.320 0.00 0.00 H+0 HETATM 50 H UNK 0 4.072 0.196 3.454 0.00 0.00 H+0 HETATM 51 H UNK 0 3.878 -0.803 4.901 0.00 0.00 H+0 HETATM 52 H UNK 0 1.583 0.130 3.046 0.00 0.00 H+0 HETATM 53 H UNK 0 2.836 -0.227 6.629 0.00 0.00 H+0 HETATM 54 H UNK 0 1.216 -0.807 7.023 0.00 0.00 H+0 HETATM 55 H UNK 0 1.611 0.922 7.135 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.013 2.274 4.422 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.587 -0.189 4.107 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.683 0.898 3.272 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.215 -0.975 1.798 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.338 -1.613 2.901 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.349 1.187 1.152 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.674 2.149 -0.142 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.164 0.486 -0.423 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.580 -0.399 -0.074 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.063 -2.115 -0.221 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.272 -1.228 -1.114 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.585 -3.068 -2.210 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.307 -2.743 -4.819 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.851 -1.057 -4.495 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.875 -2.064 -5.620 0.00 0.00 H+0 HETATM 71 H UNK 0 1.858 -1.739 -2.021 0.00 0.00 H+0 HETATM 72 H UNK 0 0.720 -1.718 -0.693 0.00 0.00 H+0 HETATM 73 H UNK 0 0.815 -3.133 -1.709 0.00 0.00 H+0 HETATM 74 H UNK 0 0.834 1.589 -3.914 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.711 -1.726 -4.845 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.916 -4.579 -4.357 0.00 0.00 H+0 HETATM 77 H UNK 0 1.092 -6.402 -4.846 0.00 0.00 H+0 HETATM 78 H UNK 0 3.031 -2.804 -4.742 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.935 0.716 -2.785 0.00 0.00 H+0 HETATM 80 H UNK 0 -2.728 2.269 -1.997 0.00 0.00 H+0 HETATM 81 H UNK 0 -1.848 1.929 -3.456 0.00 0.00 H+0 HETATM 82 H UNK 0 0.039 2.829 -1.896 0.00 0.00 H+0 HETATM 83 H UNK 0 3.000 0.912 0.625 0.00 0.00 H+0 HETATM 84 H UNK 0 4.600 1.402 -1.948 0.00 0.00 H+0 HETATM 85 H UNK 0 3.536 0.025 -1.651 0.00 0.00 H+0 HETATM 86 H UNK 0 5.000 0.233 -0.675 0.00 0.00 H+0 HETATM 87 H UNK 0 5.169 2.156 0.929 0.00 0.00 H+0 HETATM 88 H UNK 0 4.620 3.379 -0.215 0.00 0.00 H+0 HETATM 89 H UNK 0 3.200 2.666 2.408 0.00 0.00 H+0 HETATM 90 H UNK 0 4.259 4.062 2.148 0.00 0.00 H+0 HETATM 91 H UNK 0 2.720 3.956 1.286 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.784 3.325 -0.366 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.572 4.569 2.651 0.00 0.00 H+0 HETATM 94 H UNK 0 0.506 3.167 2.629 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.917 4.199 3.107 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.815 2.923 2.318 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.949 4.118 1.351 0.00 0.00 H+0 HETATM 98 H UNK 0 -0.372 1.272 1.358 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 3 1 52 CONECT 3 4 5 2 CONECT 4 3 53 54 55 CONECT 5 7 3 6 CONECT 6 5 CONECT 7 5 8 CONECT 8 9 46 7 56 CONECT 9 8 10 57 58 CONECT 10 9 12 11 59 CONECT 11 10 60 CONECT 12 10 48 13 14 CONECT 13 12 61 62 63 CONECT 14 15 12 64 33 CONECT 15 14 16 65 66 CONECT 16 21 15 17 67 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 68 69 70 CONECT 20 18 CONECT 21 16 23 27 22 CONECT 22 21 71 72 73 CONECT 23 33 21 24 CONECT 24 23 25 74 CONECT 25 24 27 26 CONECT 26 25 CONECT 27 25 21 28 75 CONECT 28 27 32 29 CONECT 29 30 28 76 CONECT 30 31 29 77 CONECT 31 32 30 CONECT 32 28 31 78 CONECT 33 23 34 35 14 CONECT 34 33 79 80 81 CONECT 35 36 43 33 82 CONECT 36 35 37 CONECT 37 38 39 36 CONECT 38 37 CONECT 39 41 40 37 83 CONECT 40 39 84 85 86 CONECT 41 42 39 87 88 CONECT 42 41 89 90 91 CONECT 43 44 48 35 92 CONECT 44 43 45 CONECT 45 46 44 93 94 CONECT 46 8 48 47 45 CONECT 47 46 95 96 97 CONECT 48 46 12 43 98 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 2 CONECT 53 4 CONECT 54 4 CONECT 55 4 CONECT 56 8 CONECT 57 9 CONECT 58 9 CONECT 59 10 CONECT 60 11 CONECT 61 13 CONECT 62 13 CONECT 63 13 CONECT 64 14 CONECT 65 15 CONECT 66 15 CONECT 67 16 CONECT 68 19 CONECT 69 19 CONECT 70 19 CONECT 71 22 CONECT 72 22 CONECT 73 22 CONECT 74 24 CONECT 75 27 CONECT 76 29 CONECT 77 30 CONECT 78 32 CONECT 79 34 CONECT 80 34 CONECT 81 34 CONECT 82 35 CONECT 83 39 CONECT 84 40 CONECT 85 40 CONECT 86 40 CONECT 87 41 CONECT 88 41 CONECT 89 42 CONECT 90 42 CONECT 91 42 CONECT 92 43 CONECT 93 45 CONECT 94 45 CONECT 95 47 CONECT 96 47 CONECT 97 47 CONECT 98 48 MASTER 0 0 0 0 0 0 0 0 98 0 206 0 END SMILES for NP0043534 (cochinchinoid D)[H]O[C@@]1([H])C([H])([H])[C@@]([H])(OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])O[C@]3([H])[C@]2([H])[C@@]1(C([H])([H])[H])[C@@]1([H])C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C(=C([H])C(=O)[C@@]2([H])C2=C([H])OC([H])=C2[H])[C@]1(C([H])([H])[H])[C@]3([H])OC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0043534 (cochinchinoid D)InChI=1S/C38H50O10/c1-10-19(3)33(42)47-27-16-26(41)37(8)25-15-28(46-21(5)39)38(9)24(14-23(40)29(38)22-12-13-44-17-22)36(25,7)32(48-34(43)20(4)11-2)30-31(37)35(27,6)18-45-30/h10,12-14,17,20,25-32,41H,11,15-16,18H2,1-9H3/b19-10+/t20-,25-,26-,27+,28+,29+,30+,31-,32+,35+,36-,37-,38-/m0/s1 3D Structure for NP0043534 (cochinchinoid D) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C38H50O10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 666.8080 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 666.34040 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1R,2R,4R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-4-(acetyloxy)-6-(furan-3-yl)-18-hydroxy-1,5,10,15-tetramethyl-11-{[(2S)-2-methylbutanoyl]oxy}-7-oxo-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-16-yl (2E)-2-methylbut-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1R,2R,4R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-4-(acetyloxy)-6-(furan-3-yl)-18-hydroxy-1,5,10,15-tetramethyl-11-{[(2S)-2-methylbutanoyl]oxy}-7-oxo-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-16-yl (2E)-2-methylbut-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]O[C@@]1([H])C([H])([H])[C@@]([H])(OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])O[C@]3([H])[C@]2([H])[C@@]1(C([H])([H])[H])[C@@]1([H])C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C(=C([H])C(=O)[C@@]2([H])C2=C([H])OC([H])=C2[H])[C@]1(C([H])([H])[H])[C@]3([H])OC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C38H50O10/c1-10-19(3)33(42)47-27-16-26(41)37(8)25-15-28(46-21(5)39)38(9)24(14-23(40)29(38)22-12-13-44-17-22)36(25,7)32(48-34(43)20(4)11-2)30-31(37)35(27,6)18-45-30/h10,12-14,17,20,25-32,41H,11,15-16,18H2,1-9H3/b19-10+/t20-,25-,26-,27+,28+,29+,30+,31-,32+,35+,36-,37-,38-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | YOZHYLHAUAGPRJ-DPSVQISYSA-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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