Showing NP-Card for Ganodernoid D (NP0014488)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-05 23:38:30 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:17:25 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0014488 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Ganodernoid D | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Ganodernoid D is found in Ganoderma lucidum. It was first documented in 2015 (PMID: 26222905). Based on a literature review a significant number of articles have been published on Ganodernoid D (PMID: 34607398) (PMID: 34606198) (PMID: 34607343) (PMID: 34607305). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0014488 (Ganodernoid D)Mrv1652307042107073D 81 84 0 0 0 0 999 V2000 1.3784 -4.1510 2.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 -2.7088 2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -1.7853 3.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 -2.3776 1.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2411 -1.0543 0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2822 -0.8770 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 -1.5104 1.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 -0.0063 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 0.8243 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 2.0238 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 2.8759 -2.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 2.2447 -1.1113 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8159 1.5018 0.1512 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2120 1.7366 0.5926 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3137 2.1456 2.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7835 2.9265 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1199 0.6039 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2368 0.7380 -0.0576 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 -0.7492 0.7041 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1404 -0.7480 1.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4593 0.0244 -0.0399 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8982 -0.4239 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 0.5177 -1.2474 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0540 1.4806 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 0.3444 -2.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.9552 -3.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 -0.6975 -2.9265 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6939 -0.9608 -1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -1.1568 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -1.1378 -2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 -1.3321 0.0928 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7176 -0.3591 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9581 0.3822 -0.6673 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4869 -0.3718 1.5097 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5764 0.6818 1.4059 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4910 0.3897 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 2.0031 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 2.6645 0.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 2.4712 2.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -0.9004 -0.7869 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5836 -1.8752 -1.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 -4.8083 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -4.3091 2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -4.4187 3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7154 -0.3530 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 1.8711 -1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 3.3092 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 1.8736 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 1.2828 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4112 2.6947 2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1799 2.8544 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 3.8656 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 2.7769 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 2.9826 0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1703 -1.0680 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8698 -1.5047 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 -0.3352 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -1.8291 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8866 -1.5145 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 0.0076 -2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -0.0276 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 2.5198 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 1.1593 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.5172 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -0.2517 -3.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 -1.6268 -3.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.8143 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -0.1176 -2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 -1.5670 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 -2.3737 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 -1.0603 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.1625 2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -1.3517 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 0.6293 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -0.6938 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5358 0.6159 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 1.0200 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2099 2.1736 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -2.2452 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -1.3393 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 -2.7340 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 9 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 28 40 1 0 0 0 0 40 41 1 6 0 0 0 40 5 1 0 0 0 0 21 8 1 0 0 0 0 40 23 1 0 0 0 0 21 13 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 5 45 1 1 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 1 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 1 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 39 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 M END 3D MOL for NP0014488 (Ganodernoid D)RDKit 3D 81 84 0 0 0 0 0 0 0 0999 V2000 1.3784 -4.1510 2.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 -2.7088 2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -1.7853 3.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 -2.3776 1.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2411 -1.0543 0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2822 -0.8770 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 -1.5104 1.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 -0.0063 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 0.8243 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 2.0238 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 2.8759 -2.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 2.2447 -1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 1.5018 0.1512 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2120 1.7366 0.5926 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3137 2.1456 2.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7835 2.9265 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1199 0.6039 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2368 0.7380 -0.0576 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 -0.7492 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1404 -0.7480 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4593 0.0244 -0.0399 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8982 -0.4239 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 0.5177 -1.2474 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0540 1.4806 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 0.3444 -2.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.9552 -3.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 -0.6975 -2.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -0.9608 -1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -1.1568 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -1.1378 -2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 -1.3321 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -0.3591 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9581 0.3822 -0.6673 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4869 -0.3718 1.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 0.6818 1.4059 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4910 0.3897 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 2.0031 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 2.6645 0.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 2.4712 2.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -0.9004 -0.7869 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5836 -1.8752 -1.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 -4.8083 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -4.3091 2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -4.4187 3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7154 -0.3530 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 1.8711 -1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 3.3092 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 1.8736 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 1.2828 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4112 2.6947 2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1799 2.8544 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 3.8656 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 2.7769 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 2.9826 0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1703 -1.0680 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8698 -1.5047 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 -0.3352 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -1.8291 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8866 -1.5145 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 0.0076 -2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -0.0276 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 2.5198 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 1.1593 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.5172 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -0.2517 -3.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 -1.6268 -3.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.8143 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -0.1176 -2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 -1.5670 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 -2.3737 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 -1.0603 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.1625 2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -1.3517 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 0.6293 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -0.6938 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5358 0.6159 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 1.0200 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2099 2.1736 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -2.2452 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -1.3393 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 -2.7340 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 1 14 16 1 0 14 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 9 23 1 0 23 24 1 1 23 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 2 0 37 39 1 0 28 40 1 0 40 41 1 6 40 5 1 0 21 8 1 0 40 23 1 0 21 13 1 0 1 42 1 0 1 43 1 0 1 44 1 0 5 45 1 1 12 46 1 0 12 47 1 0 13 48 1 1 15 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 16 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 22 59 1 0 22 60 1 0 22 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 27 65 1 0 27 66 1 0 30 67 1 0 30 68 1 0 30 69 1 0 31 70 1 0 31 71 1 0 34 72 1 0 34 73 1 0 35 74 1 1 36 75 1 0 36 76 1 0 36 77 1 0 39 78 1 0 41 79 1 0 41 80 1 0 41 81 1 0 M END 3D SDF for NP0014488 (Ganodernoid D)Mrv1652307042107073D 81 84 0 0 0 0 999 V2000 1.3784 -4.1510 2.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 -2.7088 2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -1.7853 3.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 -2.3776 1.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2411 -1.0543 0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2822 -0.8770 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 -1.5104 1.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 -0.0063 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 0.8243 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 2.0238 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 2.8759 -2.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 2.2447 -1.1113 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8159 1.5018 0.1512 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2120 1.7366 0.5926 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3137 2.1456 2.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7835 2.9265 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1199 0.6039 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2368 0.7380 -0.0576 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 -0.7492 0.7041 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1404 -0.7480 1.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4593 0.0244 -0.0399 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8982 -0.4239 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 0.5177 -1.2474 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0540 1.4806 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 0.3444 -2.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.9552 -3.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 -0.6975 -2.9265 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6939 -0.9608 -1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -1.1568 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -1.1378 -2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 -1.3321 0.0928 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7176 -0.3591 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9581 0.3822 -0.6673 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4869 -0.3718 1.5097 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5764 0.6818 1.4059 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4910 0.3897 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 2.0031 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 2.6645 0.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 2.4712 2.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -0.9004 -0.7869 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5836 -1.8752 -1.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 -4.8083 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -4.3091 2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -4.4187 3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7154 -0.3530 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 1.8711 -1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 3.3092 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 1.8736 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 1.2828 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4112 2.6947 2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1799 2.8544 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 3.8656 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 2.7769 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 2.9826 0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1703 -1.0680 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8698 -1.5047 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 -0.3352 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -1.8291 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8866 -1.5145 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 0.0076 -2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -0.0276 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 2.5198 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 1.1593 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.5172 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -0.2517 -3.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 -1.6268 -3.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.8143 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -0.1176 -2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 -1.5670 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 -2.3737 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 -1.0603 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.1625 2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -1.3517 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 0.6293 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -0.6938 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5358 0.6159 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 1.0200 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2099 2.1736 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -2.2452 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -1.3393 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 -2.7340 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 9 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 28 40 1 0 0 0 0 40 41 1 6 0 0 0 40 5 1 0 0 0 0 21 8 1 0 0 0 0 40 23 1 0 0 0 0 21 13 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 5 45 1 1 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 1 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 1 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 39 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 M END > <DATABASE_ID> NP0014488 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C(=O)C([H])([H])C(=C1\C([H])([H])C(=O)[C@]2(C3=C(C(=O)[C@@]([H])(OC(=O)C([H])([H])[H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3=O)C([H])([H])[H])\C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C32H40O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h16,21,27H,9-14H2,1-8H3,(H,39,40)/b19-15-/t16-,21+,27-,30+,31+,32+/m1/s1 > <INCHI_KEY> FNVFWDUJQFPKMO-WBTPOYDOSA-N > <FORMULA> C32H40O9 > <MOLECULAR_WEIGHT> 568.663 > <EXACT_MASS> 568.267232868 > <JCHEM_ACCEPTOR_COUNT> 8 > <JCHEM_ATOM_COUNT> 81 > <JCHEM_AVERAGE_POLARIZABILITY> 59.75789586668937 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R)-6-[(2S,7R,11R,14Z,15R,16S)-16-(acetyloxy)-2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-ylidene]-2-methyl-4-oxoheptanoic acid > <ALOGPS_LOGP> 3.24 > <JCHEM_LOGP> 3.707166959333333 > <ALOGPS_LOGS> -5.06 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 14.94623187918415 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.127199822918114 > <JCHEM_PKA_STRONGEST_BASIC> -7.023949725393 > <JCHEM_POLAR_SURFACE_AREA> 148.95 > <JCHEM_REFRACTIVITY> 148.35780000000003 > <JCHEM_ROTATABLE_BOND_COUNT> 7 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 4.98e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2R)-6-[(2S,7R,11R,14Z,15R,16S)-16-(acetyloxy)-2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-ylidene]-2-methyl-4-oxoheptanoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0014488 (Ganodernoid D)RDKit 3D 81 84 0 0 0 0 0 0 0 0999 V2000 1.3784 -4.1510 2.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 -2.7088 2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -1.7853 3.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 -2.3776 1.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2411 -1.0543 0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2822 -0.8770 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 -1.5104 1.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 -0.0063 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 0.8243 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 2.0238 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 2.8759 -2.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 2.2447 -1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 1.5018 0.1512 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2120 1.7366 0.5926 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3137 2.1456 2.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7835 2.9265 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1199 0.6039 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2368 0.7380 -0.0576 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 -0.7492 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1404 -0.7480 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4593 0.0244 -0.0399 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8982 -0.4239 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 0.5177 -1.2474 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0540 1.4806 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 0.3444 -2.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.9552 -3.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 -0.6975 -2.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -0.9608 -1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -1.1568 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -1.1378 -2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 -1.3321 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -0.3591 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9581 0.3822 -0.6673 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4869 -0.3718 1.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 0.6818 1.4059 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4910 0.3897 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 2.0031 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 2.6645 0.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 2.4712 2.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -0.9004 -0.7869 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5836 -1.8752 -1.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 -4.8083 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -4.3091 2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -4.4187 3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7154 -0.3530 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 1.8711 -1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 3.3092 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 1.8736 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 1.2828 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4112 2.6947 2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1799 2.8544 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 3.8656 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 2.7769 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 2.9826 0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1703 -1.0680 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8698 -1.5047 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 -0.3352 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -1.8291 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8866 -1.5145 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 0.0076 -2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -0.0276 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 2.5198 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 1.1593 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.5172 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -0.2517 -3.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 -1.6268 -3.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.8143 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -0.1176 -2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 -1.5670 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 -2.3737 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 -1.0603 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.1625 2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -1.3517 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 0.6293 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -0.6938 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5358 0.6159 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 1.0200 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2099 2.1736 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -2.2452 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -1.3393 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 -2.7340 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 1 14 16 1 0 14 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 9 23 1 0 23 24 1 1 23 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 2 0 37 39 1 0 28 40 1 0 40 41 1 6 40 5 1 0 21 8 1 0 40 23 1 0 21 13 1 0 1 42 1 0 1 43 1 0 1 44 1 0 5 45 1 1 12 46 1 0 12 47 1 0 13 48 1 1 15 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 16 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 22 59 1 0 22 60 1 0 22 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 27 65 1 0 27 66 1 0 30 67 1 0 30 68 1 0 30 69 1 0 31 70 1 0 31 71 1 0 34 72 1 0 34 73 1 0 35 74 1 1 36 75 1 0 36 76 1 0 36 77 1 0 39 78 1 0 41 79 1 0 41 80 1 0 41 81 1 0 M END PDB for NP0014488 (Ganodernoid D)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 1.378 -4.151 2.644 0.00 0.00 C+0 HETATM 2 C UNK 0 1.130 -2.709 2.275 0.00 0.00 C+0 HETATM 3 O UNK 0 1.484 -1.785 3.055 0.00 0.00 O+0 HETATM 4 O UNK 0 0.521 -2.378 1.097 0.00 0.00 O+0 HETATM 5 C UNK 0 0.241 -1.054 0.635 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.282 -0.877 0.870 0.00 0.00 C+0 HETATM 7 O UNK 0 -1.757 -1.510 1.814 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.980 -0.006 -0.018 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.336 0.824 -0.856 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.999 2.024 -1.362 0.00 0.00 C+0 HETATM 11 O UNK 0 -1.349 2.876 -2.013 0.00 0.00 O+0 HETATM 12 C UNK 0 -3.443 2.245 -1.111 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.816 1.502 0.151 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.212 1.737 0.593 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.314 2.146 2.066 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.784 2.926 -0.188 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.120 0.604 0.377 0.00 0.00 C+0 HETATM 18 O UNK 0 -7.237 0.738 -0.058 0.00 0.00 O+0 HETATM 19 C UNK 0 -5.645 -0.749 0.704 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.140 -0.748 1.022 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.459 0.024 -0.040 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.898 -0.424 -1.439 0.00 0.00 C+0 HETATM 23 C UNK 0 0.017 0.518 -1.247 0.00 0.00 C+0 HETATM 24 C UNK 0 1.054 1.481 -0.720 0.00 0.00 C+0 HETATM 25 C UNK 0 0.178 0.344 -2.724 0.00 0.00 C+0 HETATM 26 O UNK 0 -0.431 0.955 -3.560 0.00 0.00 O+0 HETATM 27 C UNK 0 1.206 -0.698 -2.926 0.00 0.00 C+0 HETATM 28 C UNK 0 1.694 -0.961 -1.468 0.00 0.00 C+0 HETATM 29 C UNK 0 2.932 -1.157 -1.241 0.00 0.00 C+0 HETATM 30 C UNK 0 3.921 -1.138 -2.425 0.00 0.00 C+0 HETATM 31 C UNK 0 3.560 -1.332 0.093 0.00 0.00 C+0 HETATM 32 C UNK 0 4.718 -0.359 0.248 0.00 0.00 C+0 HETATM 33 O UNK 0 4.958 0.382 -0.667 0.00 0.00 O+0 HETATM 34 C UNK 0 5.487 -0.372 1.510 0.00 0.00 C+0 HETATM 35 C UNK 0 6.576 0.682 1.406 0.00 0.00 C+0 HETATM 36 C UNK 0 7.491 0.390 0.259 0.00 0.00 C+0 HETATM 37 C UNK 0 5.941 2.003 1.224 0.00 0.00 C+0 HETATM 38 O UNK 0 6.193 2.664 0.196 0.00 0.00 O+0 HETATM 39 O UNK 0 5.085 2.471 2.200 0.00 0.00 O+0 HETATM 40 C UNK 0 0.415 -0.900 -0.787 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.584 -1.875 -1.487 0.00 0.00 C+0 HETATM 42 H UNK 0 1.176 -4.808 1.774 0.00 0.00 H+0 HETATM 43 H UNK 0 2.433 -4.309 2.951 0.00 0.00 H+0 HETATM 44 H UNK 0 0.648 -4.419 3.432 0.00 0.00 H+0 HETATM 45 H UNK 0 0.715 -0.353 1.308 0.00 0.00 H+0 HETATM 46 H UNK 0 -4.017 1.871 -1.992 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.688 3.309 -0.942 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.130 1.874 0.950 0.00 0.00 H+0 HETATM 49 H UNK 0 -5.546 1.283 2.714 0.00 0.00 H+0 HETATM 50 H UNK 0 -4.411 2.695 2.332 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.180 2.854 2.197 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.314 3.866 0.172 0.00 0.00 H+0 HETATM 53 H UNK 0 -5.703 2.777 -1.272 0.00 0.00 H+0 HETATM 54 H UNK 0 -6.866 2.983 0.123 0.00 0.00 H+0 HETATM 55 H UNK 0 -6.170 -1.068 1.638 0.00 0.00 H+0 HETATM 56 H UNK 0 -5.870 -1.505 -0.065 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.922 -0.335 2.005 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.885 -1.829 1.041 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.887 -1.515 -1.500 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.199 0.008 -2.186 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.909 -0.028 -1.685 0.00 0.00 H+0 HETATM 62 H UNK 0 0.656 2.520 -0.685 0.00 0.00 H+0 HETATM 63 H UNK 0 1.530 1.159 0.213 0.00 0.00 H+0 HETATM 64 H UNK 0 1.877 1.517 -1.487 0.00 0.00 H+0 HETATM 65 H UNK 0 2.052 -0.252 -3.481 0.00 0.00 H+0 HETATM 66 H UNK 0 0.852 -1.627 -3.364 0.00 0.00 H+0 HETATM 67 H UNK 0 3.520 -1.814 -3.200 0.00 0.00 H+0 HETATM 68 H UNK 0 4.096 -0.118 -2.766 0.00 0.00 H+0 HETATM 69 H UNK 0 4.866 -1.567 -2.069 0.00 0.00 H+0 HETATM 70 H UNK 0 3.879 -2.374 0.218 0.00 0.00 H+0 HETATM 71 H UNK 0 2.886 -1.060 0.906 0.00 0.00 H+0 HETATM 72 H UNK 0 4.875 -0.163 2.405 0.00 0.00 H+0 HETATM 73 H UNK 0 6.022 -1.352 1.601 0.00 0.00 H+0 HETATM 74 H UNK 0 7.145 0.629 2.357 0.00 0.00 H+0 HETATM 75 H UNK 0 7.469 -0.694 0.037 0.00 0.00 H+0 HETATM 76 H UNK 0 8.536 0.616 0.582 0.00 0.00 H+0 HETATM 77 H UNK 0 7.289 1.020 -0.631 0.00 0.00 H+0 HETATM 78 H UNK 0 5.210 2.174 3.148 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.248 -2.245 -0.694 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.133 -1.339 -2.286 0.00 0.00 H+0 HETATM 81 H UNK 0 -0.047 -2.734 -1.900 0.00 0.00 H+0 CONECT 1 2 42 43 44 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 40 45 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 21 CONECT 9 8 10 23 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 46 47 CONECT 13 12 14 21 48 CONECT 14 13 15 16 17 CONECT 15 14 49 50 51 CONECT 16 14 52 53 54 CONECT 17 14 18 19 CONECT 18 17 CONECT 19 17 20 55 56 CONECT 20 19 21 57 58 CONECT 21 20 22 8 13 CONECT 22 21 59 60 61 CONECT 23 9 24 25 40 CONECT 24 23 62 63 64 CONECT 25 23 26 27 CONECT 26 25 CONECT 27 25 28 65 66 CONECT 28 27 29 40 CONECT 29 28 30 31 CONECT 30 29 67 68 69 CONECT 31 29 32 70 71 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 72 73 CONECT 35 34 36 37 74 CONECT 36 35 75 76 77 CONECT 37 35 38 39 CONECT 38 37 CONECT 39 37 78 CONECT 40 28 41 5 23 CONECT 41 40 79 80 81 CONECT 42 1 CONECT 43 1 CONECT 44 1 CONECT 45 5 CONECT 46 12 CONECT 47 12 CONECT 48 13 CONECT 49 15 CONECT 50 15 CONECT 51 15 CONECT 52 16 CONECT 53 16 CONECT 54 16 CONECT 55 19 CONECT 56 19 CONECT 57 20 CONECT 58 20 CONECT 59 22 CONECT 60 22 CONECT 61 22 CONECT 62 24 CONECT 63 24 CONECT 64 24 CONECT 65 27 CONECT 66 27 CONECT 67 30 CONECT 68 30 CONECT 69 30 CONECT 70 31 CONECT 71 31 CONECT 72 34 CONECT 73 34 CONECT 74 35 CONECT 75 36 CONECT 76 36 CONECT 77 36 CONECT 78 39 CONECT 79 41 CONECT 80 41 CONECT 81 41 MASTER 0 0 0 0 0 0 0 0 81 0 168 0 END SMILES for NP0014488 (Ganodernoid D)[H]OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C(=O)C([H])([H])C(=C1\C([H])([H])C(=O)[C@]2(C3=C(C(=O)[C@@]([H])(OC(=O)C([H])([H])[H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3=O)C([H])([H])[H])\C([H])([H])[H] INCHI for NP0014488 (Ganodernoid D)InChI=1S/C32H40O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h16,21,27H,9-14H2,1-8H3,(H,39,40)/b19-15-/t16-,21+,27-,30+,31+,32+/m1/s1 3D Structure for NP0014488 (Ganodernoid D) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C32H40O9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 568.6630 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 568.26723 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R)-6-[(2S,7R,11R,14Z,15R,16S)-16-(acetyloxy)-2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-ylidene]-2-methyl-4-oxoheptanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R)-6-[(2S,7R,11R,14Z,15R,16S)-16-(acetyloxy)-2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-ylidene]-2-methyl-4-oxoheptanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(CC(=O)CC(C)=C1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C32H40O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h16,21,27H,9-14H2,1-8H3,(H,39,40)/t16?,21-,27+,30-,31-,32-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | FNVFWDUJQFPKMO-WBTPOYDOSA-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 | NPA014201 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78441307 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139587039 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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