Showing NP-Card for (1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol (NP0159779)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-09-02 17:35:18 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-12 20:38:29 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0159779 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | (1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Tilitriandrine belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol is found in Tiliacora triandra. Based on a literature review very few articles have been published on Tilitriandrine. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)
NP0068196
Mrv2104 05272322283D
82 88 0 0 0 0 999 V2000
2.4590 -3.2041 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6979 -2.0332 -1.3374 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4869 -2.2825 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 -3.2528 -1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6759 -3.4168 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1247 -2.5823 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 -1.6484 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.4901 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7871 -0.4716 0.9284 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1582 -0.5668 0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7838 -1.5478 1.7622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 -2.4401 2.4839 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1787 -1.6305 1.8287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6615 -2.6493 2.6120 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0744 -2.7265 2.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9469 -0.7119 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 0.3081 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9258 0.4028 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2330 1.5311 -0.4584 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6699 2.6009 0.5284 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3003 3.1048 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1412 4.1982 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1389 4.6280 -1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 3.9527 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5683 4.3149 -0.9449 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7482 5.2989 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1364 2.8336 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8415 2.4411 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2685 2.0160 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4240 0.7169 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3716 -0.1803 0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2081 0.2466 1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1028 1.5458 2.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1451 2.4192 1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1036 3.6687 2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4791 -1.5825 0.1100 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5676 -2.6514 0.7899 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.1247 -4.0142 0.5985 N 0 0 2 0 0 0 0 0 0 0 0 0
-4.0024 -4.4458 -0.7963 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5405 -4.5477 -1.2390 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0926 2.1813 -1.4902 N 0 0 2 0 0 0 0 0 0 0 0 0
3.1352 1.3817 -2.7162 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4355 2.4645 -0.9674 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1935 1.2382 -0.4528 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5115 -2.9108 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3669 -3.9612 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1705 -3.6193 -2.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0713 -3.8786 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5434 -1.0129 1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6781 -3.0017 2.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5590 -2.9418 1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2942 -3.5575 3.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4762 -1.8138 3.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0315 -0.7627 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3820 1.0814 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3432 3.4610 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5964 2.1985 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0151 4.7210 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2082 5.4940 -1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8219 5.3878 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2669 5.0010 -2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3888 6.2764 -1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 1.5864 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7637 0.3920 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9549 -0.4224 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7618 1.8793 2.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5500 4.2219 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5315 -1.8840 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2930 -1.5428 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 -2.4826 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1049 -4.0134 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5508 -3.7680 -1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4762 -5.4268 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1182 -5.4829 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5012 -4.5909 -2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1346 1.3102 -3.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7684 1.8666 -3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5100 0.3651 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3561 3.1947 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0371 2.9693 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0432 1.5778 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5972 0.6719 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
13 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 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
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
24 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
31 36 1 0 0 0 0
36 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
19 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
8 3 1 0 0 0 0
18 10 1 0 0 0 0
28 21 1 0 0 0 0
34 29 1 0 0 0 0
40 5 1 0 0 0 0
37 6 1 0 0 0 0
44 17 1 0 0 0 0
1 45 1 0 0 0 0
1 46 1 0 0 0 0
1 47 1 0 0 0 0
4 48 1 0 0 0 0
7 49 1 0 0 0 0
12 50 1 0 0 0 0
15 51 1 0 0 0 0
15 52 1 0 0 0 0
15 53 1 0 0 0 0
16 54 1 0 0 0 0
19 55 1 0 0 0 0
20 56 1 0 0 0 0
20 57 1 0 0 0 0
22 58 1 0 0 0 0
23 59 1 0 0 0 0
26 60 1 0 0 0 0
26 61 1 0 0 0 0
26 62 1 0 0 0 0
28 63 1 0 0 0 0
30 64 1 0 0 0 0
32 65 1 0 0 0 0
33 66 1 0 0 0 0
35 67 1 0 0 0 0
36 68 1 0 0 0 0
36 69 1 0 0 0 0
37 70 1 0 0 0 0
38 71 1 0 0 0 0
39 72 1 0 0 0 0
39 73 1 0 0 0 0
40 74 1 0 0 0 0
40 75 1 0 0 0 0
42 76 1 0 0 0 0
42 77 1 0 0 0 0
42 78 1 0 0 0 0
43 79 1 0 0 0 0
43 80 1 0 0 0 0
44 81 1 0 0 0 0
44 82 1 0 0 0 0
M END
3D MOL for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)3D SDF for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)
NP0068196
Mrv2104 05272322283D
82 88 0 0 0 0 999 V2000
2.4590 -3.2041 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6979 -2.0332 -1.3374 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4869 -2.2825 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 -3.2528 -1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6759 -3.4168 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1247 -2.5823 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 -1.6484 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.4901 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7871 -0.4716 0.9284 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1582 -0.5668 0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7838 -1.5478 1.7622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 -2.4401 2.4839 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1787 -1.6305 1.8287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6615 -2.6493 2.6120 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0744 -2.7265 2.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9469 -0.7119 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 0.3081 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9258 0.4028 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2330 1.5311 -0.4584 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6699 2.6009 0.5284 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3003 3.1048 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1412 4.1982 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1389 4.6280 -1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 3.9527 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5683 4.3149 -0.9449 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7482 5.2989 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1364 2.8336 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8415 2.4411 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2685 2.0160 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4240 0.7169 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3716 -0.1803 0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2081 0.2466 1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1028 1.5458 2.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1451 2.4192 1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1036 3.6687 2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4791 -1.5825 0.1100 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5676 -2.6514 0.7899 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.1247 -4.0142 0.5985 N 0 0 2 0 0 0 0 0 0 0 0 0
-4.0024 -4.4458 -0.7963 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5405 -4.5477 -1.2390 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0926 2.1813 -1.4902 N 0 0 2 0 0 0 0 0 0 0 0 0
3.1352 1.3817 -2.7162 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4355 2.4645 -0.9674 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1935 1.2382 -0.4528 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5115 -2.9108 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3669 -3.9612 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1705 -3.6193 -2.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0713 -3.8786 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5434 -1.0129 1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6781 -3.0017 2.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5590 -2.9418 1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2942 -3.5575 3.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4762 -1.8138 3.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0315 -0.7627 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3820 1.0814 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3432 3.4610 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5964 2.1985 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0151 4.7210 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2082 5.4940 -1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8219 5.3878 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2669 5.0010 -2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3888 6.2764 -1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 1.5864 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7637 0.3920 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9549 -0.4224 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7618 1.8793 2.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5500 4.2219 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5315 -1.8840 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2930 -1.5428 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 -2.4826 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1049 -4.0134 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5508 -3.7680 -1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4762 -5.4268 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1182 -5.4829 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5012 -4.5909 -2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1346 1.3102 -3.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7684 1.8666 -3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5100 0.3651 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3561 3.1947 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0371 2.9693 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0432 1.5778 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5972 0.6719 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
13 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 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
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
24 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
31 36 1 0 0 0 0
36 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
19 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
8 3 1 0 0 0 0
18 10 1 0 0 0 0
28 21 1 0 0 0 0
34 29 1 0 0 0 0
40 5 1 0 0 0 0
37 6 1 0 0 0 0
44 17 1 0 0 0 0
1 45 1 0 0 0 0
1 46 1 0 0 0 0
1 47 1 0 0 0 0
4 48 1 0 0 0 0
7 49 1 0 0 0 0
12 50 1 0 0 0 0
15 51 1 0 0 0 0
15 52 1 0 0 0 0
15 53 1 0 0 0 0
16 54 1 0 0 0 0
19 55 1 0 0 0 0
20 56 1 0 0 0 0
20 57 1 0 0 0 0
22 58 1 0 0 0 0
23 59 1 0 0 0 0
26 60 1 0 0 0 0
26 61 1 0 0 0 0
26 62 1 0 0 0 0
28 63 1 0 0 0 0
30 64 1 0 0 0 0
32 65 1 0 0 0 0
33 66 1 0 0 0 0
35 67 1 0 0 0 0
36 68 1 0 0 0 0
36 69 1 0 0 0 0
37 70 1 0 0 0 0
38 71 1 0 0 0 0
39 72 1 0 0 0 0
39 73 1 0 0 0 0
40 74 1 0 0 0 0
40 75 1 0 0 0 0
42 76 1 0 0 0 0
42 77 1 0 0 0 0
42 78 1 0 0 0 0
43 79 1 0 0 0 0
43 80 1 0 0 0 0
44 81 1 0 0 0 0
44 82 1 0 0 0 0
M END
> <DATABASE_ID>
NP0159779
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C([H])C([H])=C2C([H])=C1C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C3=C1C(OC1=C([H])C4=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N([H])[C@]4([H])C2([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H]
> <INCHI_IDENTIFIER>
InChI=1/C36H38N2O6/c1-38-12-10-23-18-33(43-4)35(40)36-34(23)28(38)16-21-6-8-30(41-2)26(14-21)25-13-20(5-7-29(25)39)15-27-24-19-32(44-36)31(42-3)17-22(24)9-11-37-27/h5-8,13-14,17-19,27-28,37,39-40H,9-12,15-16H2,1-4H3/t27-,28-/s2
> <INCHI_KEY>
IXKWJOUSNXVCKD-LEFKRGDZNA-N
> <FORMULA>
C36H38N2O6
> <MOLECULAR_WEIGHT>
594.708
> <EXACT_MASS>
594.272986952
> <JCHEM_ACCEPTOR_COUNT>
7
> <JCHEM_ATOM_COUNT>
82
> <JCHEM_AVERAGE_POLARIZABILITY>
65.80986299576944
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
3
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1R,14R)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1^{3,7}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol
> <JCHEM_LOGP>
5.2201747980802065
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
7
> <JCHEM_PHYSIOLOGICAL_CHARGE>
2
> <JCHEM_PKA>
9.908888901887012
> <JCHEM_PKA_STRONGEST_ACIDIC>
8.721379179855772
> <JCHEM_PKA_STRONGEST_BASIC>
9.280769778787723
> <JCHEM_POLAR_SURFACE_AREA>
92.65
> <JCHEM_REFRACTIVITY>
171.2139
> <JCHEM_ROTATABLE_BOND_COUNT>
3
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(1R,14R)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1^{3,7}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)PDB for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)HEADER PROTEIN 27-MAY-23 NONE TITLE NULL COMPND MOLECULE: NP0068196 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-MAY-23 0 HETATM 1 C UNK 0 2.459 -3.204 -1.618 0.00 0.00 C+0 HETATM 2 O UNK 0 1.698 -2.033 -1.337 0.00 0.00 O+0 HETATM 3 C UNK 0 0.487 -2.283 -0.745 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.382 -3.253 -1.260 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.676 -3.417 -0.738 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.125 -2.582 0.300 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.228 -1.648 0.844 0.00 0.00 C+0 HETATM 8 C UNK 0 0.069 -1.490 0.331 0.00 0.00 C+0 HETATM 9 O UNK 0 0.787 -0.472 0.928 0.00 0.00 O+0 HETATM 10 C UNK 0 2.158 -0.567 0.988 0.00 0.00 C+0 HETATM 11 C UNK 0 2.784 -1.548 1.762 0.00 0.00 C+0 HETATM 12 O UNK 0 2.031 -2.440 2.484 0.00 0.00 O+0 HETATM 13 C UNK 0 4.179 -1.631 1.829 0.00 0.00 C+0 HETATM 14 O UNK 0 4.662 -2.649 2.612 0.00 0.00 O+0 HETATM 15 C UNK 0 6.074 -2.727 2.760 0.00 0.00 C+0 HETATM 16 C UNK 0 4.947 -0.712 1.113 0.00 0.00 C+0 HETATM 17 C UNK 0 4.331 0.308 0.363 0.00 0.00 C+0 HETATM 18 C UNK 0 2.926 0.403 0.309 0.00 0.00 C+0 HETATM 19 C UNK 0 2.233 1.531 -0.458 0.00 0.00 C+0 HETATM 20 C UNK 0 1.670 2.601 0.528 0.00 0.00 C+0 HETATM 21 C UNK 0 0.300 3.105 0.128 0.00 0.00 C+0 HETATM 22 C UNK 0 0.141 4.198 -0.723 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.139 4.628 -1.093 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.281 3.953 -0.641 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.568 4.315 -0.945 0.00 0.00 O+0 HETATM 26 C UNK 0 -3.748 5.299 -1.955 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.136 2.834 0.200 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.842 2.441 0.586 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.268 2.016 0.673 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.424 0.717 0.152 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.372 -0.180 0.666 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.208 0.247 1.703 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.103 1.546 2.203 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.145 2.419 1.689 0.00 0.00 C+0 HETATM 35 O UNK 0 -4.104 3.669 2.246 0.00 0.00 O+0 HETATM 36 C UNK 0 -4.479 -1.583 0.110 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.568 -2.651 0.790 0.00 0.00 C+0 HETATM 38 N UNK 0 -4.125 -4.014 0.599 0.00 0.00 N+0 HETATM 39 C UNK 0 -4.002 -4.446 -0.796 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.541 -4.548 -1.239 0.00 0.00 C+0 HETATM 41 N UNK 0 3.093 2.181 -1.490 0.00 0.00 N+0 HETATM 42 C UNK 0 3.135 1.382 -2.716 0.00 0.00 C+0 HETATM 43 C UNK 0 4.436 2.465 -0.967 0.00 0.00 C+0 HETATM 44 C UNK 0 5.194 1.238 -0.453 0.00 0.00 C+0 HETATM 45 H UNK 0 3.511 -2.911 -1.681 0.00 0.00 H+0 HETATM 46 H UNK 0 2.367 -3.961 -0.830 0.00 0.00 H+0 HETATM 47 H UNK 0 2.171 -3.619 -2.589 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.071 -3.879 -2.092 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.543 -1.013 1.670 0.00 0.00 H+0 HETATM 50 H UNK 0 2.678 -3.002 2.951 0.00 0.00 H+0 HETATM 51 H UNK 0 6.559 -2.942 1.802 0.00 0.00 H+0 HETATM 52 H UNK 0 6.294 -3.558 3.437 0.00 0.00 H+0 HETATM 53 H UNK 0 6.476 -1.814 3.212 0.00 0.00 H+0 HETATM 54 H UNK 0 6.032 -0.763 1.118 0.00 0.00 H+0 HETATM 55 H UNK 0 1.382 1.081 -0.989 0.00 0.00 H+0 HETATM 56 H UNK 0 2.343 3.461 0.631 0.00 0.00 H+0 HETATM 57 H UNK 0 1.596 2.199 1.548 0.00 0.00 H+0 HETATM 58 H UNK 0 1.015 4.721 -1.107 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.208 5.494 -1.743 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.822 5.388 -2.147 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.267 5.001 -2.893 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.389 6.276 -1.617 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.728 1.586 1.251 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.764 0.392 -0.653 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.955 -0.422 2.124 0.00 0.00 H+0 HETATM 66 H UNK 0 -5.762 1.879 3.000 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.550 4.222 1.667 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.532 -1.884 0.210 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.293 -1.543 -0.972 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.566 -2.483 1.874 0.00 0.00 H+0 HETATM 71 H UNK 0 -5.105 -4.013 0.874 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.551 -3.768 -1.460 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.476 -5.427 -0.911 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.118 -5.483 -0.851 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.501 -4.591 -2.334 0.00 0.00 H+0 HETATM 76 H UNK 0 2.135 1.310 -3.157 0.00 0.00 H+0 HETATM 77 H UNK 0 3.768 1.867 -3.467 0.00 0.00 H+0 HETATM 78 H UNK 0 3.510 0.365 -2.559 0.00 0.00 H+0 HETATM 79 H UNK 0 4.356 3.195 -0.153 0.00 0.00 H+0 HETATM 80 H UNK 0 5.037 2.969 -1.733 0.00 0.00 H+0 HETATM 81 H UNK 0 6.043 1.578 0.151 0.00 0.00 H+0 HETATM 82 H UNK 0 5.597 0.672 -1.301 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 1 3 CONECT 3 2 4 8 CONECT 4 3 5 48 CONECT 5 4 6 40 CONECT 6 5 7 37 CONECT 7 6 8 49 CONECT 8 7 9 3 CONECT 9 8 10 CONECT 10 9 11 18 CONECT 11 10 12 13 CONECT 12 11 50 CONECT 13 11 14 16 CONECT 14 13 15 CONECT 15 14 51 52 53 CONECT 16 13 17 54 CONECT 17 16 18 44 CONECT 18 17 19 10 CONECT 19 18 20 41 55 CONECT 20 19 21 56 57 CONECT 21 20 22 28 CONECT 22 21 23 58 CONECT 23 22 24 59 CONECT 24 23 25 27 CONECT 25 24 26 CONECT 26 25 60 61 62 CONECT 27 24 28 29 CONECT 28 27 21 63 CONECT 29 27 30 34 CONECT 30 29 31 64 CONECT 31 30 32 36 CONECT 32 31 33 65 CONECT 33 32 34 66 CONECT 34 33 35 29 CONECT 35 34 67 CONECT 36 31 37 68 69 CONECT 37 36 38 6 70 CONECT 38 37 39 71 CONECT 39 38 40 72 73 CONECT 40 39 5 74 75 CONECT 41 19 42 43 CONECT 42 41 76 77 78 CONECT 43 41 44 79 80 CONECT 44 43 17 81 82 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 4 CONECT 49 7 CONECT 50 12 CONECT 51 15 CONECT 52 15 CONECT 53 15 CONECT 54 16 CONECT 55 19 CONECT 56 20 CONECT 57 20 CONECT 58 22 CONECT 59 23 CONECT 60 26 CONECT 61 26 CONECT 62 26 CONECT 63 28 CONECT 64 30 CONECT 65 32 CONECT 66 33 CONECT 67 35 CONECT 68 36 CONECT 69 36 CONECT 70 37 CONECT 71 38 CONECT 72 39 CONECT 73 39 CONECT 74 40 CONECT 75 40 CONECT 76 42 CONECT 77 42 CONECT 78 42 CONECT 79 43 CONECT 80 43 CONECT 81 44 CONECT 82 44 MASTER 0 0 0 0 0 0 0 0 82 0 176 0 END 3D PDB for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)SMILES for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)[H]OC1=C([H])C([H])=C2C([H])=C1C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C3=C1C(OC1=C([H])C4=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N([H])[C@]4([H])C2([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H] INCHI for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)InChI=1/C36H38N2O6/c1-38-12-10-23-18-33(43-4)35(40)36-34(23)28(38)16-21-6-8-30(41-2)26(14-21)25-13-20(5-7-29(25)39)15-27-24-19-32(44-36)31(42-3)17-22(24)9-11-37-27/h5-8,13-14,17-19,27-28,37,39-40H,9-12,15-16H2,1-4H3/t27-,28-/s2 Structure for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol)
3D Structure for NP0159779 ((1s,14s)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C36H38N2O6 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 594.7080 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 594.27299 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1R,14R)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1^{3,7}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1R,14R)-9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1^{3,7}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaene-6,21-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H]OC1=C([H])C([H])=C2C([H])=C1C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C3=C1C(OC1=C([H])C4=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N([H])[C@]4([H])C2([H])[H])=C(O[H])C(OC([H])([H])[H])=C3[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1/C36H38N2O6/c1-38-12-10-23-18-33(43-4)35(40)36-34(23)28(38)16-21-6-8-30(41-2)26(14-21)25-13-20(5-7-29(25)39)15-27-24-19-32(44-36)31(42-3)17-22(24)9-11-37-27/h5-8,13-14,17-19,27-28,37,39-40H,9-12,15-16H2,1-4H3/t27-,28-/s2 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | IXKWJOUSNXVCKD-LEFKRGDZNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Prenol lipids | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Diterpenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Diterpenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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