Showing NP-Card for Pavetannin C4 (NP0056421)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-04-28 02:12:36 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2022-04-28 02:12:36 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0056421 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Pavetannin C4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Pavetannin C4 is found in Pavetta owariensis . | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0056421 (Pavetannin C4)
Mrv1652304282204122D
83 95 0 0 1 0 999 V2000
-3.0714 16.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4880 16.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6912 16.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4776 15.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0610 15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 15.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 14.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7859 14.1291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7524 14.5370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6485 14.4105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8620 13.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5765 13.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3734 13.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5765 12.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8620 11.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 12.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 13.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 13.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 13.2011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2814 12.3761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4331 11.9636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4331 11.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 10.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 9.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 9.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 9.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 10.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 11.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 10.7261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7103 9.9011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9959 9.4886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9959 8.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 8.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 7.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 8.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 8.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 8.2511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1393 7.4261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4248 7.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 7.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 8.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 9.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5682 9.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2827 9.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2827 8.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5682 8.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9972 9.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5682 10.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 6.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 8.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 12.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 11.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 11.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 10.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5682 12.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 13.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9180 8.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8620 11.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 11.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 13.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 14.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 14.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 14.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 13.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 13.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 14.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 15.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3469 11.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3587 15.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6038 14.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9195 13.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7375 13.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2397 13.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9240 14.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1061 14.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0576 13.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6807 15.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7016 17.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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12 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
11 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 0 0 0 0
16 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 2 0 0 0 0
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78 79 1 0 0 0 0
79 80 2 0 0 0 0
75 80 1 0 0 0 0
78 81 1 0 0 0 0
4 82 1 0 0 0 0
2 83 1 0 0 0 0
M END
3D MOL for NP0056421 (Pavetannin C4)
RDKit 3D
131143 0 0 0 0 0 0 0 0999 V2000
11.9377 1.4038 4.7647 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7418 1.1360 4.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6540 0.6907 4.8583 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4646 0.4233 4.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2791 0.5763 2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0574 0.3385 2.1194 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6834 1.5266 1.3808 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8366 1.5946 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3217 2.6500 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4538 2.6242 -2.0989 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9633 3.7538 -2.7694 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0766 1.4791 -2.7729 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5731 0.3847 -2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2107 -0.7377 -2.7761 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4527 0.4384 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9775 -0.6474 0.1554 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7744 -0.3426 0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7549 -0.0565 2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5666 0.1820 2.9322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3400 0.1545 2.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1699 0.3868 2.9159 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3311 -0.1122 0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5391 -0.3723 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3802 -0.6666 -1.0863 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3134 -1.5937 -1.3204 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3178 -2.2526 -2.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -3.6141 -2.7099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9302 -4.3062 -3.8885 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2456 -3.6610 -5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2010 -4.3797 -6.2532 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5939 -2.3295 -5.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9110 -1.6852 -6.1858 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6242 -1.6510 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9902 -0.8519 -1.0413 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7793 -0.1980 -2.3072 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1717 0.1294 0.0304 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0288 0.8156 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1873 2.0734 1.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4114 2.7510 1.1296 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8243 2.7452 1.8027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1172 2.1781 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0583 2.9088 2.5657 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3220 0.9206 1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2626 0.2780 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4146 -0.9526 0.2076 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.6771 -2.7397 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0403 -4.0274 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7614 -4.7489 -2.6797 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8033 -0.8037 0.3355 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1854 -0.4630 -0.9617 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7103 0.3379 1.2821 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6696 1.4252 0.9782 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3445 2.5036 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1433 2.5894 -0.4964 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2190 3.5631 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4359 3.5806 0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3117 4.6764 0.5049 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7784 2.5115 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9025 1.4339 1.6112 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3241 0.3857 2.4039 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7561 0.1608 2.4277 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3224 0.2131 1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
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-9.8092 0.5305 -2.9220 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0711 0.8051 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
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-9.4811 1.3078 3.7045 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.9732 0.0062 3.0303 O 0 0 0 0 0 0 0 0 0 0 0 0
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12.1535 2.3451 5.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.5744 0.3959 3.9805 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.9077 -0.6101 -3.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.0549 -0.5825 -2.8093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6219 1.0537 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2025 2.3811 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
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63117 1 0
M END
3D SDF for NP0056421 (Pavetannin C4)
Mrv1652304282204122D
83 95 0 0 1 0 999 V2000
-3.0714 16.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4880 16.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6912 16.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4776 15.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0610 15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 15.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 14.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7859 14.1291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7524 14.5370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6485 14.4105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8620 13.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5765 13.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3734 13.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5765 12.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8620 11.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 12.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 13.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 13.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 13.2011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2814 12.3761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4331 11.9636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4331 11.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 10.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 9.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 9.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 9.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 10.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 11.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 10.7261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7103 9.9011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9959 9.4886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9959 8.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 8.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 7.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 8.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 8.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 8.2511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1393 7.4261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4248 7.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 7.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 8.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 9.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5682 9.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2827 9.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2827 8.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5682 8.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9972 9.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5682 10.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 6.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 8.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 12.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 11.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 11.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 10.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5682 12.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 13.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9180 8.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8620 11.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 11.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 13.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 14.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 14.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 14.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 13.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 13.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1393 14.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 15.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3469 11.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3587 15.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6038 14.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9195 13.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7375 13.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2397 13.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9240 14.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1061 14.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0576 13.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6807 15.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7016 17.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 6 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
8 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
11 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 0 0 0 0
16 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
22 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
26 31 1 0 0 0 0
31 32 1 6 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
32 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
36 41 1 0 0 0 0
40 42 1 6 0 0 0
39 43 1 6 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
43 48 1 0 0 0 0
46 49 1 0 0 0 0
45 50 1 0 0 0 0
35 51 1 0 0 0 0
33 52 1 0 0 0 0
30 53 1 6 0 0 0
29 54 1 6 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
54 59 1 0 0 0 0
57 60 1 0 0 0 0
56 61 1 0 0 0 0
25 62 1 0 0 0 0
23 63 1 0 0 0 0
20 64 1 6 0 0 0
19 65 1 6 0 0 0
65 66 2 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
65 70 1 0 0 0 0
68 71 1 0 0 0 0
67 72 1 0 0 0 0
15 73 1 0 0 0 0
9 74 1 6 0 0 0
8 75 1 1 0 0 0
75 76 2 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
75 80 1 0 0 0 0
78 81 1 0 0 0 0
4 82 1 0 0 0 0
2 83 1 0 0 0 0
M END
> <DATABASE_ID>
NP0056421
> <DATABASE_NAME>
NP-MRD
> <SMILES>
O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC(O)=C3[C@@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC1=C3[C@@H]3[C@@H](O)[C@@](OC4=C3C(O)=CC(O)=C4)(O1)C1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1)=C(O)C=C2O
> <INCHI_IDENTIFIER>
InChI=1S/C60H48O23/c61-24-6-4-23(5-7-24)60-59(78)50(42-34(70)14-25(62)15-40(42)82-60)47-41(83-60)19-38(74)46-49(52(77)55(81-58(46)47)22-3-10-29(65)33(69)13-22)45-37(73)18-36(72)44-48(51(76)54(80-57(44)45)21-2-9-28(64)32(68)12-21)43-35(71)17-30(66)26-16-39(75)53(79-56(26)43)20-1-8-27(63)31(67)11-20/h1-15,17-19,39,48-55,59,61-78H,16H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60+/m1/s1
> <INCHI_KEY>
DDMNEODUKHWFRF-NYVMZGBCSA-N
> <FORMULA>
C60H48O23
> <MOLECULAR_WEIGHT>
1137.021
> <EXACT_MASS>
1136.258637806
> <JCHEM_ACCEPTOR_COUNT>
23
> <JCHEM_ATOM_COUNT>
131
> <JCHEM_AVERAGE_POLARIZABILITY>
109.41667235853424
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
18
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1R,5R,6R,7S,13S,21R)-5-(3,4-dihydroxyphenyl)-7-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol
> <ALOGPS_LOGP>
4.38
> <JCHEM_LOGP>
6.5353734150000005
> <ALOGPS_LOGS>
-3.56
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
13
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
9.035387863914867
> <JCHEM_PKA_STRONGEST_ACIDIC>
8.621614678653106
> <JCHEM_PKA_STRONGEST_BASIC>
-5.217532973186562
> <JCHEM_POLAR_SURFACE_AREA>
410.2900000000001
> <JCHEM_REFRACTIVITY>
287.2320000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
6
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
3.11e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1R,5R,6R,7S,13S,21R)-5-(3,4-dihydroxyphenyl)-7-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0056421 (Pavetannin C4)HEADER PROTEIN 28-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 28-APR-22 0 HETATM 1 C UNK 0 -5.733 30.119 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.644 31.208 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.157 30.810 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.758 29.322 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.847 28.233 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.335 28.632 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -6.668 27.862 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 -7.067 26.374 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.138 27.136 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.077 26.900 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -3.476 25.412 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.809 24.642 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 -6.297 25.041 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 -4.809 23.102 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.476 22.332 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.142 23.102 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.142 24.642 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -0.808 25.412 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 0.525 24.642 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 0.525 23.102 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.808 22.332 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.808 20.792 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.142 20.022 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.142 18.482 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.808 17.712 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 0.525 18.482 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 0.525 20.022 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 1.859 20.792 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 3.193 20.022 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 3.193 18.482 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 1.859 17.712 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 1.859 16.172 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 0.525 15.402 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.525 13.862 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 1.859 13.092 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 3.193 13.862 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 3.193 15.402 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 4.526 16.172 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 5.860 15.402 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 5.860 13.862 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 4.526 13.092 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 7.194 13.092 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 7.194 16.172 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 7.194 17.712 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 8.527 18.482 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 9.861 17.712 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 9.861 16.172 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 8.527 15.402 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 11.195 18.482 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 8.527 20.022 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 1.859 11.552 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 -0.808 16.172 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 4.526 17.712 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 4.526 20.792 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 4.526 22.332 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 5.860 23.102 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 7.194 22.332 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 7.194 20.792 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 5.860 20.022 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 8.527 23.102 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 5.860 24.642 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 -1.714 16.466 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 -3.476 20.792 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 1.859 22.332 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 1.859 25.412 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 1.859 26.952 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 3.193 27.722 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 4.526 26.952 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 4.526 25.412 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 3.193 24.642 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 5.860 27.722 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 3.193 29.262 0.000 0.00 0.00 O+0 HETATM 73 O UNK 0 -4.381 21.086 0.000 0.00 0.00 O+0 HETATM 74 O UNK 0 -4.403 28.489 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 -8.594 26.173 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -9.183 24.751 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -10.710 24.550 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -11.647 25.771 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 -11.058 27.194 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -9.531 27.395 0.000 0.00 0.00 C+0 HETATM 81 O UNK 0 -13.174 25.570 0.000 0.00 0.00 O+0 HETATM 82 O UNK 0 -1.271 28.924 0.000 0.00 0.00 O+0 HETATM 83 O UNK 0 -5.043 32.696 0.000 0.00 0.00 O+0 CONECT 1 2 6 CONECT 2 1 3 83 CONECT 3 2 4 CONECT 4 3 5 82 CONECT 5 4 6 10 CONECT 6 5 1 7 CONECT 7 6 8 CONECT 8 7 9 13 75 CONECT 9 8 10 74 CONECT 10 9 5 11 CONECT 11 10 12 17 CONECT 12 11 13 14 CONECT 13 12 8 CONECT 14 12 15 CONECT 15 14 16 73 CONECT 16 15 17 21 CONECT 17 16 11 18 CONECT 18 17 19 CONECT 19 18 20 65 CONECT 20 19 21 64 CONECT 21 20 16 22 CONECT 22 21 23 27 CONECT 23 22 24 63 CONECT 24 23 25 CONECT 25 24 26 62 CONECT 26 25 27 31 CONECT 27 26 22 28 CONECT 28 27 29 CONECT 29 28 30 54 CONECT 30 29 31 53 CONECT 31 30 26 32 CONECT 32 31 33 37 CONECT 33 32 34 52 CONECT 34 33 35 CONECT 35 34 36 51 CONECT 36 35 37 41 CONECT 37 36 32 38 CONECT 38 37 39 CONECT 39 38 40 43 CONECT 40 39 41 42 CONECT 41 40 36 CONECT 42 40 CONECT 43 39 44 48 CONECT 44 43 45 CONECT 45 44 46 50 CONECT 46 45 47 49 CONECT 47 46 48 CONECT 48 47 43 CONECT 49 46 CONECT 50 45 CONECT 51 35 CONECT 52 33 CONECT 53 30 CONECT 54 29 55 59 CONECT 55 54 56 CONECT 56 55 57 61 CONECT 57 56 58 60 CONECT 58 57 59 CONECT 59 58 54 CONECT 60 57 CONECT 61 56 CONECT 62 25 CONECT 63 23 CONECT 64 20 CONECT 65 19 66 70 CONECT 66 65 67 CONECT 67 66 68 72 CONECT 68 67 69 71 CONECT 69 68 70 CONECT 70 69 65 CONECT 71 68 CONECT 72 67 CONECT 73 15 CONECT 74 9 CONECT 75 8 76 80 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 81 CONECT 79 78 80 CONECT 80 79 75 CONECT 81 78 CONECT 82 4 CONECT 83 2 MASTER 0 0 0 0 0 0 0 0 83 0 190 0 END SMILES for NP0056421 (Pavetannin C4)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC(O)=C3[C@@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC1=C3[C@@H]3[C@@H](O)[C@@](OC4=C3C(O)=CC(O)=C4)(O1)C1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1)=C(O)C=C2O INCHI for NP0056421 (Pavetannin C4)InChI=1S/C60H48O23/c61-24-6-4-23(5-7-24)60-59(78)50(42-34(70)14-25(62)15-40(42)82-60)47-41(83-60)19-38(74)46-49(52(77)55(81-58(46)47)22-3-10-29(65)33(69)13-22)45-37(73)18-36(72)44-48(51(76)54(80-57(44)45)21-2-9-28(64)32(68)12-21)43-35(71)17-30(66)26-16-39(75)53(79-56(26)43)20-1-8-27(63)31(67)11-20/h1-15,17-19,39,48-55,59,61-78H,16H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60+/m1/s1 3D Structure for NP0056421 (Pavetannin C4) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C60H48O23 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1137.0210 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1136.25864 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1R,5R,6R,7S,13S,21R)-5-(3,4-dihydroxyphenyl)-7-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1R,5R,6R,7S,13S,21R)-5-(3,4-dihydroxyphenyl)-7-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC(O)=C3[C@@H]1[C@@H](O)[C@H](OC3=C1C(O)=CC1=C3[C@@H]3[C@@H](O)[C@@](OC4=C3C(O)=CC(O)=C4)(O1)C1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1)=C(O)C=C2O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C60H48O23/c61-24-6-4-23(5-7-24)60-59(78)50(42-34(70)14-25(62)15-40(42)82-60)47-41(83-60)19-38(74)46-49(52(77)55(81-58(46)47)22-3-10-29(65)33(69)13-22)45-37(73)18-36(72)44-48(51(76)54(80-57(44)45)21-2-9-28(64)32(68)12-21)43-35(71)17-30(66)26-16-39(75)53(79-56(26)43)20-1-8-27(63)31(67)11-20/h1-15,17-19,39,48-55,59,61-78H,16H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DDMNEODUKHWFRF-NYVMZGBCSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
