Showing NP-Card for agariblazeispirol C (NP0027787)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-19 19:51:04 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-29 23:54:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0027787 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | agariblazeispirol C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | agariblazeispirol C is found in Agaricus blazei. It was first documented in 2005 (Hirotani, M., et al.). Based on a literature review very few articles have been published on (1S,10R,16S)-16-[(2S)-3-hydroxy-3-methylbutan-2-yl]-6-methoxy-5,10,14-trimethyltetracyclo[8.6.0.0¹,¹³.0⁴,⁹]Hexadeca-2,4,6,8,13-pentaen-15-one. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0027787 (agariblazeispirol C)Mrv1652306192121513D 60 63 0 0 0 0 999 V2000 -5.7636 -3.0653 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -3.1575 1.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 -2.0735 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -0.8763 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 0.1871 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.0867 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -1.1177 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -2.2099 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -3.5054 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 -1.1957 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 -0.3356 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 0.7714 -0.7562 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1099 2.0308 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 2.3687 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 3.5239 -1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 1.3735 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 1.3103 -3.5663 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 0.5322 -2.2813 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5721 -0.9330 -2.8096 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9830 -1.5470 -2.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 -1.0546 -4.2680 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3540 -2.3773 -4.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.9335 -4.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 0.0031 -5.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 2.7956 0.6693 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7012 2.1155 1.0125 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1025 1.2611 -0.2387 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8265 2.2003 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 -2.2806 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1679 -4.0181 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1272 -2.9107 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 -0.7295 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 1.0987 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8076 -3.8259 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -3.3769 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 -4.3327 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -1.9630 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -0.4301 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 4.2015 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 4.0953 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 3.1853 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 1.0509 -2.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -1.5516 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -2.6395 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -1.2074 -3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 -1.3152 -1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -3.2408 -4.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -2.4496 -5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1317 -2.4475 -5.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 -1.0225 -5.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -1.7095 -3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 0.0431 -3.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 0.1890 -4.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 2.7216 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 3.8505 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 1.4897 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 2.8534 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 1.6378 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 2.9543 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 2.7582 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 8 3 1 0 0 0 0 4 5 1 0 0 0 0 7 10 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 18 16 1 0 0 0 0 18 12 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 6 0 0 0 12 11 1 1 0 0 0 8 9 1 0 0 0 0 11 10 2 0 0 0 0 3 2 1 0 0 0 0 12 27 1 0 0 0 0 18 19 1 0 0 0 0 5 6 2 0 0 0 0 16 17 2 0 0 0 0 7 8 2 0 0 0 0 14 15 1 0 0 0 0 7 6 1 0 0 0 0 19 21 1 0 0 0 0 27 26 1 0 0 0 0 19 20 1 0 0 0 0 26 25 1 0 0 0 0 21 22 1 0 0 0 0 25 13 1 0 0 0 0 21 23 1 0 0 0 0 12 13 1 0 0 0 0 21 24 1 6 0 0 0 2 1 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 11 38 1 0 0 0 0 10 37 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 18 42 1 6 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 19 43 1 1 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 M END 3D MOL for NP0027787 (agariblazeispirol C)RDKit 3D 60 63 0 0 0 0 0 0 0 0999 V2000 -5.7636 -3.0653 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -3.1575 1.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 -2.0735 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -0.8763 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 0.1871 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.0867 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -1.1177 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -2.2099 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -3.5054 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 -1.1957 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 -0.3356 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 0.7714 -0.7562 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1099 2.0308 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 2.3687 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 3.5239 -1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 1.3735 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 1.3103 -3.5663 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 0.5322 -2.2813 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5721 -0.9330 -2.8096 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9830 -1.5470 -2.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 -1.0546 -4.2680 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3540 -2.3773 -4.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.9335 -4.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 0.0031 -5.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 2.7956 0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 2.1155 1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 1.2611 -0.2387 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8265 2.2003 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 -2.2806 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1679 -4.0181 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1272 -2.9107 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 -0.7295 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 1.0987 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8076 -3.8259 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -3.3769 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 -4.3327 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -1.9630 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -0.4301 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 4.2015 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 4.0953 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 3.1853 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 1.0509 -2.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -1.5516 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -2.6395 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -1.2074 -3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 -1.3152 -1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -3.2408 -4.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -2.4496 -5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1317 -2.4475 -5.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 -1.0225 -5.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -1.7095 -3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 0.0431 -3.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 0.1890 -4.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 2.7216 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 3.8505 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 1.4897 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 2.8534 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 1.6378 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 2.9543 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 2.7582 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 8 3 1 0 4 5 1 0 7 10 1 0 13 14 2 0 14 16 1 0 18 16 1 0 18 12 1 0 6 27 1 0 27 28 1 6 12 11 1 1 8 9 1 0 11 10 2 0 3 2 1 0 12 27 1 0 18 19 1 0 5 6 2 0 16 17 2 0 7 8 2 0 14 15 1 0 7 6 1 0 19 21 1 0 27 26 1 0 19 20 1 0 26 25 1 0 21 22 1 0 25 13 1 0 21 23 1 0 12 13 1 0 21 24 1 6 2 1 1 0 4 32 1 0 5 33 1 0 11 38 1 0 10 37 1 0 26 56 1 0 26 57 1 0 25 54 1 0 25 55 1 0 18 42 1 6 28 58 1 0 28 59 1 0 28 60 1 0 9 34 1 0 9 35 1 0 9 36 1 0 19 43 1 1 15 39 1 0 15 40 1 0 15 41 1 0 20 44 1 0 20 45 1 0 20 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 1 29 1 0 1 30 1 0 1 31 1 0 M END 3D SDF for NP0027787 (agariblazeispirol C)Mrv1652306192121513D 60 63 0 0 0 0 999 V2000 -5.7636 -3.0653 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -3.1575 1.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 -2.0735 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -0.8763 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 0.1871 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.0867 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -1.1177 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -2.2099 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -3.5054 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 -1.1957 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 -0.3356 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 0.7714 -0.7562 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1099 2.0308 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 2.3687 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 3.5239 -1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 1.3735 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 1.3103 -3.5663 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 0.5322 -2.2813 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5721 -0.9330 -2.8096 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9830 -1.5470 -2.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 -1.0546 -4.2680 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3540 -2.3773 -4.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.9335 -4.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 0.0031 -5.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 2.7956 0.6693 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7012 2.1155 1.0125 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1025 1.2611 -0.2387 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8265 2.2003 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 -2.2806 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1679 -4.0181 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1272 -2.9107 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 -0.7295 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 1.0987 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8076 -3.8259 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -3.3769 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 -4.3327 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -1.9630 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -0.4301 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 4.2015 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 4.0953 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 3.1853 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 1.0509 -2.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -1.5516 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -2.6395 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -1.2074 -3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 -1.3152 -1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -3.2408 -4.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -2.4496 -5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1317 -2.4475 -5.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 -1.0225 -5.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -1.7095 -3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 0.0431 -3.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 0.1890 -4.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 2.7216 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 3.8505 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 1.4897 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 2.8534 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 1.6378 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 2.9543 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 2.7582 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 8 3 1 0 0 0 0 4 5 1 0 0 0 0 7 10 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 18 16 1 0 0 0 0 18 12 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 6 0 0 0 12 11 1 1 0 0 0 8 9 1 0 0 0 0 11 10 2 0 0 0 0 3 2 1 0 0 0 0 12 27 1 0 0 0 0 18 19 1 0 0 0 0 5 6 2 0 0 0 0 16 17 2 0 0 0 0 7 8 2 0 0 0 0 14 15 1 0 0 0 0 7 6 1 0 0 0 0 19 21 1 0 0 0 0 27 26 1 0 0 0 0 19 20 1 0 0 0 0 26 25 1 0 0 0 0 21 22 1 0 0 0 0 25 13 1 0 0 0 0 21 23 1 0 0 0 0 12 13 1 0 0 0 0 21 24 1 6 0 0 0 2 1 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 11 38 1 0 0 0 0 10 37 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 18 42 1 6 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 19 43 1 1 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 M END > <DATABASE_ID> NP0027787 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]1([H])C(=O)C(=C2C([H])([H])C([H])([H])[C@@]3(C4=C([H])C([H])=C(OC([H])([H])[H])C(=C4C([H])=C([H])[C@]123)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C25H32O3/c1-14-17-10-13-25-18(15(2)22(26)21(25)16(3)23(4,5)27)11-12-24(25,6)19(17)8-9-20(14)28-7/h8-10,13,16,21,27H,11-12H2,1-7H3/t16-,21+,24+,25+/m0/s1 > <INCHI_KEY> KEJYTPFHXXTRCU-HXGHLDGBSA-N > <FORMULA> C25H32O3 > <MOLECULAR_WEIGHT> 380.528 > <EXACT_MASS> 380.23514489 > <JCHEM_ACCEPTOR_COUNT> 3 > <JCHEM_ATOM_COUNT> 60 > <JCHEM_AVERAGE_POLARIZABILITY> 43.8744296854444 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 1 > <JCHEM_IUPAC> (1S,10R,16S)-16-[(2S)-3-hydroxy-3-methylbutan-2-yl]-6-methoxy-5,10,14-trimethyltetracyclo[8.6.0.0^{1,13}.0^{4,9}]hexadeca-2,4,6,8,13-pentaen-15-one > <ALOGPS_LOGP> 5.06 > <JCHEM_LOGP> 4.708364817666668 > <ALOGPS_LOGS> -5.58 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 19.37729439293638 > <JCHEM_PKA_STRONGEST_ACIDIC> 15.049715585401945 > <JCHEM_PKA_STRONGEST_BASIC> -2.7770085952140438 > <JCHEM_POLAR_SURFACE_AREA> 46.53 > <JCHEM_REFRACTIVITY> 114.81279999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 3 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.00e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (1S,10R,16S)-16-[(2S)-3-hydroxy-3-methylbutan-2-yl]-6-methoxy-5,10,14-trimethyltetracyclo[8.6.0.0^{1,13}.0^{4,9}]hexadeca-2,4,6,8,13-pentaen-15-one > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0027787 (agariblazeispirol C)RDKit 3D 60 63 0 0 0 0 0 0 0 0999 V2000 -5.7636 -3.0653 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -3.1575 1.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 -2.0735 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -0.8763 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 0.1871 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.0867 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -1.1177 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -2.2099 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -3.5054 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 -1.1957 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 -0.3356 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 0.7714 -0.7562 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1099 2.0308 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 2.3687 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 3.5239 -1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 1.3735 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 1.3103 -3.5663 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 0.5322 -2.2813 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5721 -0.9330 -2.8096 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9830 -1.5470 -2.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 -1.0546 -4.2680 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3540 -2.3773 -4.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.9335 -4.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 0.0031 -5.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 2.7956 0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 2.1155 1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 1.2611 -0.2387 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8265 2.2003 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 -2.2806 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1679 -4.0181 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1272 -2.9107 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 -0.7295 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 1.0987 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8076 -3.8259 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -3.3769 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 -4.3327 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -1.9630 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -0.4301 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 4.2015 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 4.0953 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 3.1853 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 1.0509 -2.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -1.5516 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -2.6395 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -1.2074 -3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 -1.3152 -1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -3.2408 -4.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -2.4496 -5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1317 -2.4475 -5.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 -1.0225 -5.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -1.7095 -3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 0.0431 -3.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 0.1890 -4.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 2.7216 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 3.8505 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 1.4897 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 2.8534 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 1.6378 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 2.9543 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 2.7582 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 8 3 1 0 4 5 1 0 7 10 1 0 13 14 2 0 14 16 1 0 18 16 1 0 18 12 1 0 6 27 1 0 27 28 1 6 12 11 1 1 8 9 1 0 11 10 2 0 3 2 1 0 12 27 1 0 18 19 1 0 5 6 2 0 16 17 2 0 7 8 2 0 14 15 1 0 7 6 1 0 19 21 1 0 27 26 1 0 19 20 1 0 26 25 1 0 21 22 1 0 25 13 1 0 21 23 1 0 12 13 1 0 21 24 1 6 2 1 1 0 4 32 1 0 5 33 1 0 11 38 1 0 10 37 1 0 26 56 1 0 26 57 1 0 25 54 1 0 25 55 1 0 18 42 1 6 28 58 1 0 28 59 1 0 28 60 1 0 9 34 1 0 9 35 1 0 9 36 1 0 19 43 1 1 15 39 1 0 15 40 1 0 15 41 1 0 20 44 1 0 20 45 1 0 20 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 1 29 1 0 1 30 1 0 1 31 1 0 M END PDB for NP0027787 (agariblazeispirol C)HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -5.764 -3.065 1.447 0.00 0.00 C+0 HETATM 2 O UNK 0 -4.345 -3.158 1.479 0.00 0.00 O+0 HETATM 3 C UNK 0 -3.623 -2.074 1.050 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.194 -0.876 0.622 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.390 0.187 0.207 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.992 0.087 0.205 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.405 -1.118 0.667 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.220 -2.210 1.067 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.600 -3.505 1.540 0.00 0.00 C+0 HETATM 10 C UNK 0 0.062 -1.196 0.770 0.00 0.00 C+0 HETATM 11 C UNK 0 0.854 -0.336 0.118 0.00 0.00 C+0 HETATM 12 C UNK 0 0.303 0.771 -0.756 0.00 0.00 C+0 HETATM 13 C UNK 0 1.110 2.031 -0.520 0.00 0.00 C+0 HETATM 14 C UNK 0 1.969 2.369 -1.486 0.00 0.00 C+0 HETATM 15 C UNK 0 2.876 3.524 -1.642 0.00 0.00 C+0 HETATM 16 C UNK 0 1.740 1.373 -2.556 0.00 0.00 C+0 HETATM 17 O UNK 0 2.427 1.310 -3.566 0.00 0.00 O+0 HETATM 18 C UNK 0 0.501 0.532 -2.281 0.00 0.00 C+0 HETATM 19 C UNK 0 0.572 -0.933 -2.810 0.00 0.00 C+0 HETATM 20 C UNK 0 1.983 -1.547 -2.702 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.004 -1.055 -4.268 0.00 0.00 C+0 HETATM 22 C UNK 0 0.354 -2.377 -4.960 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.538 -0.934 -4.255 0.00 0.00 C+0 HETATM 24 O UNK 0 0.476 0.003 -5.100 0.00 0.00 O+0 HETATM 25 C UNK 0 0.633 2.796 0.669 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.701 2.115 1.012 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.103 1.261 -0.239 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.827 2.200 -1.243 0.00 0.00 C+0 HETATM 29 H UNK 0 -6.123 -2.281 2.121 0.00 0.00 H+0 HETATM 30 H UNK 0 -6.168 -4.018 1.802 0.00 0.00 H+0 HETATM 31 H UNK 0 -6.127 -2.911 0.426 0.00 0.00 H+0 HETATM 32 H UNK 0 -5.269 -0.730 0.601 0.00 0.00 H+0 HETATM 33 H UNK 0 -3.893 1.099 -0.104 0.00 0.00 H+0 HETATM 34 H UNK 0 -0.808 -3.826 0.855 0.00 0.00 H+0 HETATM 35 H UNK 0 -1.187 -3.377 2.545 0.00 0.00 H+0 HETATM 36 H UNK 0 -2.315 -4.333 1.572 0.00 0.00 H+0 HETATM 37 H UNK 0 0.507 -1.963 1.394 0.00 0.00 H+0 HETATM 38 H UNK 0 1.932 -0.430 0.226 0.00 0.00 H+0 HETATM 39 H UNK 0 2.816 4.202 -0.785 0.00 0.00 H+0 HETATM 40 H UNK 0 2.622 4.095 -2.541 0.00 0.00 H+0 HETATM 41 H UNK 0 3.913 3.185 -1.730 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.292 1.051 -2.825 0.00 0.00 H+0 HETATM 43 H UNK 0 -0.079 -1.552 -2.178 0.00 0.00 H+0 HETATM 44 H UNK 0 1.928 -2.640 -2.764 0.00 0.00 H+0 HETATM 45 H UNK 0 2.643 -1.207 -3.506 0.00 0.00 H+0 HETATM 46 H UNK 0 2.475 -1.315 -1.756 0.00 0.00 H+0 HETATM 47 H UNK 0 0.044 -3.241 -4.362 0.00 0.00 H+0 HETATM 48 H UNK 0 1.428 -2.450 -5.162 0.00 0.00 H+0 HETATM 49 H UNK 0 -0.132 -2.447 -5.940 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.944 -1.022 -5.269 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.997 -1.710 -3.633 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.870 0.043 -3.891 0.00 0.00 H+0 HETATM 53 H UNK 0 1.412 0.189 -4.880 0.00 0.00 H+0 HETATM 54 H UNK 0 1.332 2.722 1.508 0.00 0.00 H+0 HETATM 55 H UNK 0 0.476 3.850 0.423 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.563 1.490 1.904 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.467 2.853 1.279 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.272 1.638 -2.070 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.157 2.954 -1.670 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.637 2.758 -0.760 0.00 0.00 H+0 CONECT 1 2 29 30 31 CONECT 2 3 1 CONECT 3 4 8 2 CONECT 4 3 5 32 CONECT 5 4 6 33 CONECT 6 27 5 7 CONECT 7 10 8 6 CONECT 8 3 9 7 CONECT 9 8 34 35 36 CONECT 10 7 11 37 CONECT 11 12 10 38 CONECT 12 18 11 27 13 CONECT 13 14 25 12 CONECT 14 13 16 15 CONECT 15 14 39 40 41 CONECT 16 14 18 17 CONECT 17 16 CONECT 18 16 12 19 42 CONECT 19 18 21 20 43 CONECT 20 19 44 45 46 CONECT 21 19 22 23 24 CONECT 22 21 47 48 49 CONECT 23 21 50 51 52 CONECT 24 21 53 CONECT 25 26 13 54 55 CONECT 26 27 25 56 57 CONECT 27 6 28 12 26 CONECT 28 27 58 59 60 CONECT 29 1 CONECT 30 1 CONECT 31 1 CONECT 32 4 CONECT 33 5 CONECT 34 9 CONECT 35 9 CONECT 36 9 CONECT 37 10 CONECT 38 11 CONECT 39 15 CONECT 40 15 CONECT 41 15 CONECT 42 18 CONECT 43 19 CONECT 44 20 CONECT 45 20 CONECT 46 20 CONECT 47 22 CONECT 48 22 CONECT 49 22 CONECT 50 23 CONECT 51 23 CONECT 52 23 CONECT 53 24 CONECT 54 25 CONECT 55 25 CONECT 56 26 CONECT 57 26 CONECT 58 28 CONECT 59 28 CONECT 60 28 MASTER 0 0 0 0 0 0 0 0 60 0 126 0 END SMILES for NP0027787 (agariblazeispirol C)[H]OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]1([H])C(=O)C(=C2C([H])([H])C([H])([H])[C@@]3(C4=C([H])C([H])=C(OC([H])([H])[H])C(=C4C([H])=C([H])[C@]123)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0027787 (agariblazeispirol C)InChI=1S/C25H32O3/c1-14-17-10-13-25-18(15(2)22(26)21(25)16(3)23(4,5)27)11-12-24(25,6)19(17)8-9-20(14)28-7/h8-10,13,16,21,27H,11-12H2,1-7H3/t16-,21+,24+,25+/m0/s1 3D Structure for NP0027787 (agariblazeispirol C) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C25H32O3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 380.5280 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 380.23514 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1S,10R,16S)-16-[(2S)-3-hydroxy-3-methylbutan-2-yl]-6-methoxy-5,10,14-trimethyltetracyclo[8.6.0.0^{1,13}.0^{4,9}]hexadeca-2,4,6,8,13-pentaen-15-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1S,10R,16S)-16-[(2S)-3-hydroxy-3-methylbutan-2-yl]-6-methoxy-5,10,14-trimethyltetracyclo[8.6.0.0^{1,13}.0^{4,9}]hexadeca-2,4,6,8,13-pentaen-15-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]1([H])C(=O)C(=C2C([H])([H])C([H])([H])[C@@]3(C4=C([H])C([H])=C(OC([H])([H])[H])C(=C4C([H])=C([H])[C@]123)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C25H32O3/c1-14-17-10-13-25-18(15(2)22(26)21(25)16(3)23(4,5)27)11-12-24(25,6)19(17)8-9-20(14)28-7/h8-10,13,16,21,27H,11-12H2,1-7H3/t16-,21+,24+,25+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | KEJYTPFHXXTRCU-HXGHLDGBSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 10186868 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 12183453 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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