Showing NP-Card for Asperversin B (NP0018237)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 02:53:48 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:27:40 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0018237 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Asperversin B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Asperversin B is found in Aspergillus versicolor. It was first documented in 2018 (PMID: 29882867). Based on a literature review very few articles have been published on 2-[(1R,10R,11R,12S,15S,16R)-16-(acetyloxy)-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]Heptadeca-3(8),4-dien-12-yl]acetic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0018237 (Asperversin B)Mrv1652306242104323D 61 64 0 0 0 0 999 V2000 -0.8960 5.1916 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 4.1953 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 4.5218 1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 2.8472 -0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6984 1.9271 0.9627 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7082 1.5232 1.4491 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3281 0.4799 0.5629 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8298 1.1033 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 0.0207 1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -1.0287 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 -1.1957 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 -2.2785 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -2.4671 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -3.1511 -0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -3.0530 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 -3.9552 -1.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 -1.9853 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 -1.9254 -0.1291 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4208 -0.6974 0.4316 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9328 -0.3446 -0.1469 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8909 0.1573 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -1.3589 0.1430 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1568 -2.4537 -0.8750 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2760 -3.3244 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -3.8709 0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3718 -3.5158 -1.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 -0.6506 0.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 0.6883 0.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4811 1.4850 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 0.9933 1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 0.7189 0.8303 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0888 5.7380 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 4.7794 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 5.9911 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 2.4780 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 2.3977 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 1.0565 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 0.3921 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 1.6962 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 1.8196 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1407 -0.4699 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.6900 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -3.4477 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -2.4671 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 -2.8445 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -2.1012 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 -0.9619 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 -0.3069 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -0.1297 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 1.2475 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 -1.7870 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -2.1468 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -3.1064 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4671 -3.0937 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 1.7787 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 2.4047 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6872 0.8747 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 0.1279 2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 1.0749 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 1.9184 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 0.1812 1.8354 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 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 5 1 0 0 0 0 19 7 1 0 0 0 0 31 20 1 0 0 0 0 17 10 2 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 5 35 1 1 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 11 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 1 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 1 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 26 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 1 0 0 0 M END 3D MOL for NP0018237 (Asperversin B)RDKit 3D 61 64 0 0 0 0 0 0 0 0999 V2000 -0.8960 5.1916 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 4.1953 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 4.5218 1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 2.8472 -0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6984 1.9271 0.9627 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7082 1.5232 1.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 0.4799 0.5629 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8298 1.1033 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 0.0207 1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -1.0287 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 -1.1957 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 -2.2785 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -2.4671 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -3.1511 -0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -3.0530 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 -3.9552 -1.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 -1.9853 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 -1.9254 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 -0.6974 0.4316 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9328 -0.3446 -0.1469 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8909 0.1573 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -1.3589 0.1430 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1568 -2.4537 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -3.3244 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -3.8709 0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3718 -3.5158 -1.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 -0.6506 0.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 0.6883 0.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4811 1.4850 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 0.9933 1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 0.7189 0.8303 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0888 5.7380 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 4.7794 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 5.9911 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 2.4780 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 2.3977 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 1.0565 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 0.3921 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 1.6962 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 1.8196 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1407 -0.4699 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.6900 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -3.4477 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -2.4671 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 -2.8445 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -2.1012 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 -0.9619 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 -0.3069 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -0.1297 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 1.2475 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 -1.7870 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -2.1468 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -3.1064 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4671 -3.0937 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 1.7787 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 2.4047 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6872 0.8747 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 0.1279 2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 1.0749 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 1.9184 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 0.1812 1.8354 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 1 0 7 8 1 6 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 6 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 22 27 1 0 27 28 1 0 28 29 1 6 28 30 1 0 28 31 1 0 31 5 1 0 19 7 1 0 31 20 1 0 17 10 2 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 1 6 36 1 0 6 37 1 0 8 38 1 0 8 39 1 0 8 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 18 45 1 0 18 46 1 0 19 47 1 1 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 1 23 52 1 0 23 53 1 0 26 54 1 0 29 55 1 0 29 56 1 0 29 57 1 0 30 58 1 0 30 59 1 0 30 60 1 0 31 61 1 1 M END 3D SDF for NP0018237 (Asperversin B)Mrv1652306242104323D 61 64 0 0 0 0 999 V2000 -0.8960 5.1916 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 4.1953 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 4.5218 1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 2.8472 -0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6984 1.9271 0.9627 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7082 1.5232 1.4491 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3281 0.4799 0.5629 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8298 1.1033 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 0.0207 1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -1.0287 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 -1.1957 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 -2.2785 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -2.4671 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -3.1511 -0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -3.0530 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 -3.9552 -1.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 -1.9853 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 -1.9254 -0.1291 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4208 -0.6974 0.4316 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9328 -0.3446 -0.1469 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8909 0.1573 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -1.3589 0.1430 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1568 -2.4537 -0.8750 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2760 -3.3244 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -3.8709 0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3718 -3.5158 -1.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 -0.6506 0.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 0.6883 0.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4811 1.4850 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 0.9933 1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 0.7189 0.8303 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0888 5.7380 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 4.7794 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 5.9911 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 2.4780 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 2.3977 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 1.0565 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 0.3921 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 1.6962 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 1.8196 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1407 -0.4699 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.6900 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -3.4477 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -2.4671 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 -2.8445 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -2.1012 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 -0.9619 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 -0.3069 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -0.1297 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 1.2475 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 -1.7870 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -2.1468 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -3.1064 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4671 -3.0937 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 1.7787 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 2.4047 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6872 0.8747 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 0.1279 2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 1.0749 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 1.9184 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 0.1812 1.8354 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 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 5 1 0 0 0 0 19 7 1 0 0 0 0 31 20 1 0 0 0 0 17 10 2 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 5 35 1 1 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 11 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 1 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 1 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 26 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 1 0 0 0 M END > <DATABASE_ID> NP0018237 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])[C@]1([H])OC(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]3(OC4=C(C(=O)OC(=C4[H])C([H])([H])[H])C([H])([H])[C@]3([H])[C@@]12C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C23H30O8/c1-11-7-14-13(20(27)28-11)8-16-22(5,30-14)10-15(29-12(2)24)19-21(3,4)31-17(9-18(25)26)23(16,19)6/h7,15-17,19H,8-10H2,1-6H3,(H,25,26)/t15-,16+,17+,19+,22-,23+/m1/s1 > <INCHI_KEY> SROITTFLAOXWQV-WTCMJECPSA-N > <FORMULA> C23H30O8 > <MOLECULAR_WEIGHT> 434.485 > <EXACT_MASS> 434.194067926 > <JCHEM_ACCEPTOR_COUNT> 6 > <JCHEM_ATOM_COUNT> 61 > <JCHEM_AVERAGE_POLARIZABILITY> 45.47845215777137 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 1 > <JCHEM_IUPAC> 2-[(1R,10R,11R,12S,15S,16R)-16-(acetyloxy)-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4-dien-12-yl]acetic acid > <ALOGPS_LOGP> 3.02 > <JCHEM_LOGP> 1.4853622406666682 > <ALOGPS_LOGS> -3.99 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.152208754206124 > <JCHEM_PKA_STRONGEST_BASIC> -4.113088716088499 > <JCHEM_POLAR_SURFACE_AREA> 108.36000000000001 > <JCHEM_REFRACTIVITY> 110.51440000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 4 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 4.45e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> [(1R,10R,11R,12S,15S,16R)-16-(acetyloxy)-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4-dien-12-yl]acetic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0018237 (Asperversin B)RDKit 3D 61 64 0 0 0 0 0 0 0 0999 V2000 -0.8960 5.1916 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 4.1953 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 4.5218 1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 2.8472 -0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6984 1.9271 0.9627 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7082 1.5232 1.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 0.4799 0.5629 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8298 1.1033 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 0.0207 1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -1.0287 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 -1.1957 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 -2.2785 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -2.4671 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -3.1511 -0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -3.0530 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 -3.9552 -1.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 -1.9853 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 -1.9254 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 -0.6974 0.4316 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9328 -0.3446 -0.1469 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8909 0.1573 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -1.3589 0.1430 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1568 -2.4537 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -3.3244 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -3.8709 0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3718 -3.5158 -1.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 -0.6506 0.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 0.6883 0.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4811 1.4850 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 0.9933 1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 0.7189 0.8303 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0888 5.7380 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 4.7794 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 5.9911 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 2.4780 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 2.3977 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 1.0565 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 0.3921 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 1.6962 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 1.8196 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1407 -0.4699 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.6900 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -3.4477 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -2.4671 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 -2.8445 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -2.1012 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 -0.9619 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 -0.3069 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -0.1297 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 1.2475 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 -1.7870 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -2.1468 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -3.1064 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4671 -3.0937 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 1.7787 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 2.4047 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6872 0.8747 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 0.1279 2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 1.0749 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 1.9184 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 0.1812 1.8354 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 1 0 7 8 1 6 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 6 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 22 27 1 0 27 28 1 0 28 29 1 6 28 30 1 0 28 31 1 0 31 5 1 0 19 7 1 0 31 20 1 0 17 10 2 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 1 6 36 1 0 6 37 1 0 8 38 1 0 8 39 1 0 8 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 18 45 1 0 18 46 1 0 19 47 1 1 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 1 23 52 1 0 23 53 1 0 26 54 1 0 29 55 1 0 29 56 1 0 29 57 1 0 30 58 1 0 30 59 1 0 30 60 1 0 31 61 1 1 M END PDB for NP0018237 (Asperversin B)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -0.896 5.192 -0.995 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.983 4.195 0.106 0.00 0.00 C+0 HETATM 3 O UNK 0 -1.399 4.522 1.246 0.00 0.00 O+0 HETATM 4 O UNK 0 -0.613 2.847 -0.060 0.00 0.00 O+0 HETATM 5 C UNK 0 -0.698 1.927 0.963 0.00 0.00 C+0 HETATM 6 C UNK 0 0.708 1.523 1.449 0.00 0.00 C+0 HETATM 7 C UNK 0 1.328 0.480 0.563 0.00 0.00 C+0 HETATM 8 C UNK 0 1.830 1.103 -0.681 0.00 0.00 C+0 HETATM 9 O UNK 0 2.492 0.021 1.284 0.00 0.00 O+0 HETATM 10 C UNK 0 3.210 -1.029 0.748 0.00 0.00 C+0 HETATM 11 C UNK 0 4.578 -1.196 0.855 0.00 0.00 C+0 HETATM 12 C UNK 0 5.223 -2.279 0.287 0.00 0.00 C+0 HETATM 13 C UNK 0 6.699 -2.467 0.398 0.00 0.00 C+0 HETATM 14 O UNK 0 4.483 -3.151 -0.366 0.00 0.00 O+0 HETATM 15 C UNK 0 3.191 -3.053 -0.505 0.00 0.00 C+0 HETATM 16 O UNK 0 2.561 -3.955 -1.159 0.00 0.00 O+0 HETATM 17 C UNK 0 2.525 -1.985 0.052 0.00 0.00 C+0 HETATM 18 C UNK 0 1.045 -1.925 -0.129 0.00 0.00 C+0 HETATM 19 C UNK 0 0.421 -0.697 0.432 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.933 -0.345 -0.147 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.891 0.157 -1.546 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.997 -1.359 0.143 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.157 -2.454 -0.875 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.276 -3.324 -0.353 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.249 -3.871 0.774 0.00 0.00 O+0 HETATM 26 O UNK 0 -4.372 -3.516 -1.164 0.00 0.00 O+0 HETATM 27 O UNK 0 -3.163 -0.651 0.275 0.00 0.00 O+0 HETATM 28 C UNK 0 -2.888 0.688 0.550 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.481 1.485 -0.536 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.636 0.993 1.862 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.468 0.719 0.830 0.00 0.00 C+0 HETATM 32 H UNK 0 0.089 5.738 -0.962 0.00 0.00 H+0 HETATM 33 H UNK 0 -1.082 4.779 -1.984 0.00 0.00 H+0 HETATM 34 H UNK 0 -1.653 5.991 -0.774 0.00 0.00 H+0 HETATM 35 H UNK 0 -1.105 2.478 1.870 0.00 0.00 H+0 HETATM 36 H UNK 0 1.350 2.398 1.598 0.00 0.00 H+0 HETATM 37 H UNK 0 0.543 1.056 2.446 0.00 0.00 H+0 HETATM 38 H UNK 0 2.234 0.392 -1.429 0.00 0.00 H+0 HETATM 39 H UNK 0 2.752 1.696 -0.378 0.00 0.00 H+0 HETATM 40 H UNK 0 1.194 1.820 -1.187 0.00 0.00 H+0 HETATM 41 H UNK 0 5.141 -0.470 1.391 0.00 0.00 H+0 HETATM 42 H UNK 0 7.200 -1.690 -0.225 0.00 0.00 H+0 HETATM 43 H UNK 0 6.946 -3.448 -0.067 0.00 0.00 H+0 HETATM 44 H UNK 0 7.034 -2.467 1.450 0.00 0.00 H+0 HETATM 45 H UNK 0 0.695 -2.845 0.439 0.00 0.00 H+0 HETATM 46 H UNK 0 0.861 -2.101 -1.195 0.00 0.00 H+0 HETATM 47 H UNK 0 0.170 -0.962 1.512 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.718 -0.307 -2.120 0.00 0.00 H+0 HETATM 49 H UNK 0 0.026 -0.130 -2.116 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.070 1.248 -1.653 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.768 -1.787 1.151 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.375 -2.147 -1.888 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.266 -3.106 -0.821 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.467 -3.094 -2.085 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.533 1.779 -0.230 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.005 2.405 -0.842 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.687 0.875 -1.469 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.445 0.128 2.523 0.00 0.00 H+0 HETATM 59 H UNK 0 -4.693 1.075 1.595 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.208 1.918 2.282 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.351 0.181 1.835 0.00 0.00 H+0 CONECT 1 2 32 33 34 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 31 35 CONECT 6 5 7 36 37 CONECT 7 6 8 9 19 CONECT 8 7 38 39 40 CONECT 9 7 10 CONECT 10 9 11 17 CONECT 11 10 12 41 CONECT 12 11 13 14 CONECT 13 12 42 43 44 CONECT 14 12 15 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 10 CONECT 18 17 19 45 46 CONECT 19 18 20 7 47 CONECT 20 19 21 22 31 CONECT 21 20 48 49 50 CONECT 22 20 23 27 51 CONECT 23 22 24 52 53 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 54 CONECT 27 22 28 CONECT 28 27 29 30 31 CONECT 29 28 55 56 57 CONECT 30 28 58 59 60 CONECT 31 28 5 20 61 CONECT 32 1 CONECT 33 1 CONECT 34 1 CONECT 35 5 CONECT 36 6 CONECT 37 6 CONECT 38 8 CONECT 39 8 CONECT 40 8 CONECT 41 11 CONECT 42 13 CONECT 43 13 CONECT 44 13 CONECT 45 18 CONECT 46 18 CONECT 47 19 CONECT 48 21 CONECT 49 21 CONECT 50 21 CONECT 51 22 CONECT 52 23 CONECT 53 23 CONECT 54 26 CONECT 55 29 CONECT 56 29 CONECT 57 29 CONECT 58 30 CONECT 59 30 CONECT 60 30 CONECT 61 31 MASTER 0 0 0 0 0 0 0 0 61 0 128 0 END SMILES for NP0018237 (Asperversin B)[H]OC(=O)C([H])([H])[C@]1([H])OC(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]3(OC4=C(C(=O)OC(=C4[H])C([H])([H])[H])C([H])([H])[C@]3([H])[C@@]12C([H])([H])[H])C([H])([H])[H] INCHI for NP0018237 (Asperversin B)InChI=1S/C23H30O8/c1-11-7-14-13(20(27)28-11)8-16-22(5,30-14)10-15(29-12(2)24)19-21(3,4)31-17(9-18(25)26)23(16,19)6/h7,15-17,19H,8-10H2,1-6H3,(H,25,26)/t15-,16+,17+,19+,22-,23+/m1/s1 3D Structure for NP0018237 (Asperversin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C23H30O8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 434.4850 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 434.19407 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 2-[(1R,10R,11R,12S,15S,16R)-16-(acetyloxy)-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4-dien-12-yl]acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | [(1R,10R,11R,12S,15S,16R)-16-(acetyloxy)-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4-dien-12-yl]acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H][C@@]1(CC(O)=O)OC(C)(C)[C@]2([H])[C@@]([H])(C[C@@]3(C)OC4=C(C[C@]3([H])[C@@]12C)C(=O)OC(C)=C4)OC(C)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C23H30O8/c1-11-7-14-13(20(27)28-11)8-16-22(5,30-14)10-15(29-12(2)24)19-21(3,4)31-17(9-18(25)26)23(16,19)6/h7,15-17,19H,8-10H2,1-6H3,(H,25,26)/t15-,16+,17+,19+,22-,23+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | SROITTFLAOXWQV-WTCMJECPSA-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 | NPA023345 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 71049002 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139590627 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |