Showing metabocard for Assamsaponin J (HMDB0036486)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 5.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Expected but not Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2012-09-11 21:38:27 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2022-03-07 02:54:56 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0036486 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers |
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| Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Assamsaponin J | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Assamsaponin J belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Based on a literature review a small amount of articles have been published on Assamsaponin J. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for HMDB0036486 (Assamsaponin J)
Mrv0541 05061309102D
93102 0 0 0 0 999 V2000
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M END
3D MOL for HMDB0036486 (Assamsaponin J)HMDB0036486
RDKit 3D
Assamsaponin J
189198 0 0 0 0 0 0 0 0999 V2000
-9.1479 4.3588 1.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.8097 -2.0124 -1.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1354 -1.8787 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8010 -0.0550 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1478 -0.2680 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8912 1.7318 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5064 2.7894 0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2195 3.0243 2.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1668 3.6959 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8148 3.7818 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1077 2.1610 0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8384 4.6513 3.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6467 5.4516 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8478 5.5347 2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4360 5.2530 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5814 3.2399 3.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5166 3.5846 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6765 -0.7539 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4657 -3.3902 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2528 -5.0539 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1968 -5.1938 1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0250 -4.7304 3.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8098 -6.8712 3.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0396 -6.1816 -0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1629 -6.9872 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9479 -3.7675 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0034 -4.1671 -2.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7394 -2.7718 -1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5431 -4.5465 -1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7522 0.6817 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7832 1.3569 -0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4901 0.1444 -1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9862 -1.4127 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1465 -2.5627 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 -2.3038 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7010 0.1916 -0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 -2.7433 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1759 -1.4561 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -2.8927 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3414 -1.2188 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3941 -2.5638 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2450 -3.2787 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8896 -3.4602 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2083 1.8562 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2765 2.4951 -3.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5062 3.0924 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0781 4.7138 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3221 4.1063 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7551 5.4958 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0388 4.2730 -3.7964 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8193 3.9678 -3.6685 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0338 5.4576 -2.8895 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 0
8 9 2 0
8 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
6 18 1 0
18 19 1 0
19 20 1 0
18 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
23 25 2 0
21 26 1 0
26 27 1 0
27 28 1 0
27 29 1 0
29 30 2 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 2 0
42 44 1 0
41 45 1 0
45 46 1 0
45 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
52 54 1 0
54 55 1 0
54 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
60 62 1 0
62 63 1 0
62 64 1 0
64 65 1 0
64 66 1 0
66 67 1 0
47 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
71 72 1 0
72 73 1 0
73 74 1 0
72 75 1 0
75 76 1 0
75 77 1 0
77 78 1 0
77 79 1 0
79 80 1 0
37 81 1 0
81 82 1 0
81 83 1 0
81 84 1 0
84 85 1 0
85 86 1 0
86 87 1 0
87 88 1 0
29 89 1 0
89 90 1 0
90 91 1 0
91 92 1 0
91 93 1 0
91 5 1 0
17 12 1 0
89 18 1 0
87 27 1 0
87 32 1 0
84 33 1 0
68 39 1 0
79 70 1 0
56 49 1 0
66 58 1 0
1 94 1 0
1 95 1 0
1 96 1 0
5 97 1 0
6 98 1 0
10 99 1 0
11100 1 0
13101 1 0
14102 1 0
15103 1 0
16104 1 0
17105 1 0
19106 1 0
19107 1 0
20108 1 0
21109 1 0
24110 1 0
24111 1 0
24112 1 0
26113 1 0
26114 1 0
28115 1 0
28116 1 0
28117 1 0
30118 1 0
31119 1 0
31120 1 0
32121 1 0
34122 1 0
34123 1 0
34124 1 0
35125 1 0
35126 1 0
36127 1 0
36128 1 0
37129 1 0
39130 1 0
41131 1 0
44132 1 0
45133 1 0
46134 1 0
47135 1 0
49136 1 0
51137 1 0
51138 1 0
52139 1 0
53140 1 0
54141 1 0
55142 1 0
56143 1 0
58144 1 0
60145 1 0
61146 1 0
61147 1 0
61148 1 0
62149 1 0
63150 1 0
64151 1 0
65152 1 0
66153 1 0
67154 1 0
68155 1 0
70156 1 0
72157 1 0
73158 1 0
73159 1 0
74160 1 0
75161 1 0
76162 1 0
77163 1 0
78164 1 0
79165 1 0
80166 1 0
82167 1 0
82168 1 0
82169 1 0
83170 1 0
83171 1 0
83172 1 0
84173 1 0
85174 1 0
85175 1 0
86176 1 0
86177 1 0
88178 1 0
88179 1 0
88180 1 0
89181 1 0
90182 1 0
90183 1 0
92184 1 0
92185 1 0
92186 1 0
93187 1 0
93188 1 0
93189 1 0
M END
3D SDF for HMDB0036486 (Assamsaponin J)
Mrv0541 05061309102D
93102 0 0 0 0 999 V2000
-1.9942 -1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8663 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0096 5.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3359 4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3965 4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0491 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1096 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2939 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7324 1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4373 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8675 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8675 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1531 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1531 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4386 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7241 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7228 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0083 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7241 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0083 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8649 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5794 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7228 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1518 3.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1518 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5794 -1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8636 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5807 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5807 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2952 4.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4386 0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4373 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1518 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8649 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2939 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0084 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8649 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8662 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0096 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 -2.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8649 -2.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5653 -2.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 -2.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 -2.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 -2.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0071 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0071 0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7215 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8637 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7215 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5807 3.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5807 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7215 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 -1.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5781 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8662 3.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5794 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2939 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7228 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4373 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8663 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2939 -1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4012 1.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2952 -0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5807 5.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5653 1.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0097 3.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9942 -2.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5653 -0.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5794 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5653 -3.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 -3.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8636 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7215 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2926 1.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0070 2.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 2.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5781 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5653 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5807 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2952 3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 -0.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2952 2.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2926 -0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8637 -1.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7215 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 11 2 0 0 0 0
13 11 1 0 0 0 0
14 12 1 0 0 0 0
15 13 2 0 0 0 0
18 17 1 0 0 0 0
19 16 2 0 0 0 0
22 21 1 0 0 0 0
23 20 1 0 0 0 0
29 1 1 0 0 0 0
30 2 1 0 0 0 0
31 3 1 0 0 0 0
32 14 2 0 0 0 0
32 15 1 0 0 0 0
32 16 1 0 0 0 0
33 17 2 0 0 0 0
34 24 1 0 0 0 0
34 33 1 0 0 0 0
35 27 1 0 0 0 0
36 26 1 0 0 0 0
37 20 1 0 0 0 0
38 18 1 0 0 0 0
39 21 1 0 0 0 0
40 25 1 0 0 0 0
41 19 1 0 0 0 0
42 29 1 0 0 0 0
43 35 1 0 0 0 0
44 36 1 0 0 0 0
45 42 1 0 0 0 0
46 44 1 0 0 0 0
47 45 1 0 0 0 0
48 46 1 0 0 0 0
50 49 1 0 0 0 0
51 49 1 0 0 0 0
52 43 1 0 0 0 0
53 50 1 0 0 0 0
55 54 1 0 0 0 0
56 51 1 0 0 0 0
57 47 1 0 0 0 0
58 48 1 0 0 0 0
59 52 1 0 0 0 0
60 53 1 0 0 0 0
61 4 1 0 0 0 0
61 5 1 0 0 0 0
61 24 1 0 0 0 0
61 54 1 0 0 0 0
62 6 1 0 0 0 0
62 7 1 0 0 0 0
62 37 1 0 0 0 0
62 39 1 0 0 0 0
63 8 1 0 0 0 0
63 22 1 0 0 0 0
63 37 1 0 0 0 0
63 38 1 0 0 0 0
64 9 1 0 0 0 0
64 23 1 0 0 0 0
64 38 1 0 0 0 0
65 10 1 0 0 0 0
65 25 1 0 0 0 0
65 33 1 0 0 0 0
65 64 1 0 0 0 0
66 28 1 0 0 0 0
66 34 1 0 0 0 0
66 40 1 0 0 0 0
66 55 1 0 0 0 0
67 26 1 0 0 0 0
68 28 1 0 0 0 0
69 30 2 0 0 0 0
70 31 2 0 0 0 0
71 35 1 0 0 0 0
72 41 2 0 0 0 0
73 42 1 0 0 0 0
74 43 1 0 0 0 0
75 44 1 0 0 0 0
76 45 1 0 0 0 0
77 46 1 0 0 0 0
78 47 1 0 0 0 0
79 48 1 0 0 0 0
80 49 1 0 0 0 0
81 56 2 0 0 0 0
82 56 1 0 0 0 0
83 27 1 0 0 0 0
83 59 1 0 0 0 0
84 29 1 0 0 0 0
84 57 1 0 0 0 0
85 30 1 0 0 0 0
85 40 1 0 0 0 0
86 31 1 0 0 0 0
86 54 1 0 0 0 0
87 36 1 0 0 0 0
87 58 1 0 0 0 0
88 39 1 0 0 0 0
88 60 1 0 0 0 0
89 41 1 0 0 0 0
89 55 1 0 0 0 0
90 50 1 0 0 0 0
90 59 1 0 0 0 0
91 51 1 0 0 0 0
91 60 1 0 0 0 0
92 52 1 0 0 0 0
92 57 1 0 0 0 0
93 53 1 0 0 0 0
93 58 1 0 0 0 0
M END
> <DATABASE_ID>
HMDB0036486
> <DATABASE_NAME>
hmdb
> <SMILES>
CC1OC(OC2C(O)C(O)COC2OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(OC(C)=O)C(OC(=O)\C=C\C7=CC=CC=C7)C6(CO)C(CC54C)OC(C)=O)C3(C)C)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O
> <INCHI_IDENTIFIER>
InChI=1S/C66H96O27/c1-29-42(73)45(76)47(78)57(84-29)92-52-43(74)35(71)27-83-59(52)90-50-49(80)51(56(81)82)91-60(53(50)93-58-48(79)46(77)44(75)36(26-67)87-58)88-39-21-22-63(8)37(62(39,6)7)20-23-64(9)38(63)18-17-33-34-24-61(4,5)54(86-31(3)70)55(89-41(72)19-16-32-14-12-11-13-15-32)66(34,28-68)40(85-30(2)69)25-65(33,64)10/h11-17,19,29,34-40,42-55,57-60,67-68,71,73-80H,18,20-28H2,1-10H3,(H,81,82)/b19-16+
> <INCHI_KEY>
WMDYPPZNMOEMLX-KNTRCKAVSA-N
> <FORMULA>
C66H96O27
> <MOLECULAR_WEIGHT>
1321.4522
> <EXACT_MASS>
1320.613897866
> <JCHEM_ACCEPTOR_COUNT>
24
> <JCHEM_AVERAGE_POLARIZABILITY>
138.51537244765098
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
12
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
6-{[8,10-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2E)-3-phenylprop-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
> <ALOGPS_LOGP>
2.27
> <JCHEM_LOGP>
1.572069799333332
> <ALOGPS_LOGS>
-4.06
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.910844850544594
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.302064331219234
> <JCHEM_PKA_STRONGEST_BASIC>
-3.6765067029822633
> <JCHEM_POLAR_SURFACE_AREA>
412.57000000000016
> <JCHEM_REFRACTIVITY>
317.80559999999974
> <JCHEM_ROTATABLE_BOND_COUNT>
19
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.15e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
6-{[8,10-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2E)-3-phenylprop-2-enoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0036486 (Assamsaponin J)HMDB0036486
RDKit 3D
Assamsaponin J
189198 0 0 0 0 0 0 0 0999 V2000
-9.1479 4.3588 1.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9257 4.0555 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6025 4.7180 -0.3128 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0642 3.1396 0.0481 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8496 2.8481 -1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1174 1.4552 -1.6915 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0301 0.8764 -0.7943 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2599 0.3850 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5459 0.4977 -2.3920 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.2491 -0.2407 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2265 -0.4236 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.2846 -1.0875 1.7337 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3800 -1.7191 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.3619 -2.3515 1.8608 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.2973 -2.3820 3.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.2325 -1.7648 3.8375 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.2508 -1.1323 3.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8533 0.5674 -1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8431 0.5360 -3.4438 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9925 -0.0399 -3.9854 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9170 -0.6894 -1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for HMDB0036486 (Assamsaponin J)HEADER PROTEIN 06-MAY-13 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 06-MAY-13 0 HETATM 1 C UNK 0 -3.723 -2.056 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 20.284 -0.516 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 24.285 9.494 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 19.294 8.364 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 21.273 8.364 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 11.292 -1.695 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 13.271 -1.695 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 13.615 3.334 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 16.300 3.322 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 17.616 1.024 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 29.619 0.254 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 29.619 1.794 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 28.286 -0.516 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 28.286 2.564 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 26.952 0.254 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 25.618 2.564 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 16.283 4.874 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 14.949 4.104 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 25.618 4.104 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 14.949 -0.516 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 10.948 1.794 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 12.282 2.564 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 16.283 0.254 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 18.950 6.414 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 18.950 1.794 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 12.282 -2.056 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 1.612 2.564 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 21.617 3.334 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.389 -2.826 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 21.617 0.254 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 22.951 8.724 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 26.952 1.794 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 17.616 4.104 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 18.950 4.874 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 0.279 1.794 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 10.948 -2.826 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 13.615 0.254 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 14.949 2.564 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 10.948 0.254 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 20.284 2.564 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 24.285 4.874 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.389 -4.366 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 0.279 0.254 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 10.948 -4.366 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -1.055 -5.136 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 9.614 -5.136 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 0.279 -4.366 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 8.281 -4.366 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 5.613 1.794 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 5.613 0.254 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 6.947 2.564 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 1.612 -0.516 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 6.947 -0.516 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 21.617 6.414 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 21.617 4.874 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 6.947 4.104 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 0.279 -2.826 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 8.281 -2.826 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 2.946 0.254 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 8.281 0.254 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 20.284 7.184 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 12.282 -0.516 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 13.615 1.794 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 16.283 1.794 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 17.616 2.564 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 20.284 4.104 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 13.615 -2.826 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 23.149 3.173 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 22.951 -0.516 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 21.617 9.494 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 -1.055 2.564 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 24.285 6.414 0.000 0.00 0.00 O+0 HETATM 73 O UNK 0 -3.723 -5.136 0.000 0.00 0.00 O+0 HETATM 74 O UNK 0 -1.055 -0.516 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 12.282 -5.136 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 -1.055 -6.676 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 9.614 -6.676 0.000 0.00 0.00 O+0 HETATM 78 O UNK 0 1.612 -5.136 0.000 0.00 0.00 O+0 HETATM 79 O UNK 0 6.947 -5.136 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 4.280 2.564 0.000 0.00 0.00 O+0 HETATM 81 O UNK 0 5.613 4.874 0.000 0.00 0.00 O+0 HETATM 82 O UNK 0 8.281 4.874 0.000 0.00 0.00 O+0 HETATM 83 O UNK 0 2.946 1.794 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 -1.055 -2.056 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 21.617 1.794 0.000 0.00 0.00 O+0 HETATM 86 O UNK 0 22.951 7.184 0.000 0.00 0.00 O+0 HETATM 87 O UNK 0 9.614 -2.056 0.000 0.00 0.00 O+0 HETATM 88 O UNK 0 9.614 -0.516 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 22.951 4.104 0.000 0.00 0.00 O+0 HETATM 90 O UNK 0 4.280 -0.516 0.000 0.00 0.00 O+0 HETATM 91 O UNK 0 8.281 1.794 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 1.612 -2.056 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 6.947 -2.056 0.000 0.00 0.00 O+0 CONECT 1 29 CONECT 2 30 CONECT 3 31 CONECT 4 61 CONECT 5 61 CONECT 6 62 CONECT 7 62 CONECT 8 63 CONECT 9 64 CONECT 10 65 CONECT 11 12 13 CONECT 12 11 14 CONECT 13 11 15 CONECT 14 12 32 CONECT 15 13 32 CONECT 16 19 32 CONECT 17 18 33 CONECT 18 17 38 CONECT 19 16 41 CONECT 20 23 37 CONECT 21 22 39 CONECT 22 21 63 CONECT 23 20 64 CONECT 24 34 61 CONECT 25 40 65 CONECT 26 36 67 CONECT 27 35 83 CONECT 28 66 68 CONECT 29 1 42 84 CONECT 30 2 69 85 CONECT 31 3 70 86 CONECT 32 14 15 16 CONECT 33 17 34 65 CONECT 34 24 33 66 CONECT 35 27 43 71 CONECT 36 26 44 87 CONECT 37 20 62 63 CONECT 38 18 63 64 CONECT 39 21 62 88 CONECT 40 25 66 85 CONECT 41 19 72 89 CONECT 42 29 45 73 CONECT 43 35 52 74 CONECT 44 36 46 75 CONECT 45 42 47 76 CONECT 46 44 48 77 CONECT 47 45 57 78 CONECT 48 46 58 79 CONECT 49 50 51 80 CONECT 50 49 53 90 CONECT 51 49 56 91 CONECT 52 43 59 92 CONECT 53 50 60 93 CONECT 54 55 61 86 CONECT 55 54 66 89 CONECT 56 51 81 82 CONECT 57 47 84 92 CONECT 58 48 87 93 CONECT 59 52 83 90 CONECT 60 53 88 91 CONECT 61 4 5 24 54 CONECT 62 6 7 37 39 CONECT 63 8 22 37 38 CONECT 64 9 23 38 65 CONECT 65 10 25 33 64 CONECT 66 28 34 40 55 CONECT 67 26 CONECT 68 28 CONECT 69 30 CONECT 70 31 CONECT 71 35 CONECT 72 41 CONECT 73 42 CONECT 74 43 CONECT 75 44 CONECT 76 45 CONECT 77 46 CONECT 78 47 CONECT 79 48 CONECT 80 49 CONECT 81 56 CONECT 82 56 CONECT 83 27 59 CONECT 84 29 57 CONECT 85 30 40 CONECT 86 31 54 CONECT 87 36 58 CONECT 88 39 60 CONECT 89 41 55 CONECT 90 50 59 CONECT 91 51 60 CONECT 92 52 57 CONECT 93 53 58 MASTER 0 0 0 0 0 0 0 0 93 0 204 0 END 3D PDB for HMDB0036486 (Assamsaponin J)COMPND HMDB0036486 HETATM 1 C1 UNL 1 -9.148 4.359 1.958 1.00 0.00 C HETATM 2 C2 UNL 1 -8.926 4.055 0.547 1.00 0.00 C HETATM 3 O1 UNL 1 -9.603 4.718 -0.313 1.00 0.00 O HETATM 4 O2 UNL 1 -8.064 3.140 0.048 1.00 0.00 O HETATM 5 C3 UNL 1 -7.850 2.848 -1.340 1.00 0.00 C HETATM 6 C4 UNL 1 -8.117 1.455 -1.692 1.00 0.00 C HETATM 7 O3 UNL 1 -9.030 0.876 -0.794 1.00 0.00 O HETATM 8 C5 UNL 1 -10.260 0.385 -1.138 1.00 0.00 C HETATM 9 O4 UNL 1 -10.546 0.498 -2.392 1.00 0.00 O HETATM 10 C6 UNL 1 -11.249 -0.241 -0.304 1.00 0.00 C HETATM 11 C7 UNL 1 -11.226 -0.424 0.993 1.00 0.00 C HETATM 12 C8 UNL 1 -12.285 -1.088 1.734 1.00 0.00 C HETATM 13 C9 UNL 1 -13.380 -1.719 1.127 1.00 0.00 C HETATM 14 C10 UNL 1 -14.362 -2.351 1.861 1.00 0.00 C HETATM 15 C11 UNL 1 -14.297 -2.382 3.230 1.00 0.00 C HETATM 16 C12 UNL 1 -13.233 -1.765 3.838 1.00 0.00 C HETATM 17 C13 UNL 1 -12.251 -1.132 3.120 1.00 0.00 C HETATM 18 C14 UNL 1 -6.853 0.567 -1.919 1.00 0.00 C HETATM 19 C15 UNL 1 -6.843 0.536 -3.444 1.00 0.00 C HETATM 20 O5 UNL 1 -7.993 -0.040 -3.985 1.00 0.00 O HETATM 21 C16 UNL 1 -6.917 -0.689 -1.198 1.00 0.00 C HETATM 22 O6 UNL 1 -7.506 -1.817 -1.869 1.00 0.00 O HETATM 23 C17 UNL 1 -8.484 -2.594 -1.251 1.00 0.00 C HETATM 24 C18 UNL 1 -9.154 -3.763 -1.869 1.00 0.00 C HETATM 25 O7 UNL 1 -8.815 -2.272 -0.075 1.00 0.00 O HETATM 26 C19 UNL 1 -5.698 -1.238 -0.449 1.00 0.00 C HETATM 27 C20 UNL 1 -4.368 -0.796 -1.060 1.00 0.00 C HETATM 28 C21 UNL 1 -4.405 -1.337 -2.451 1.00 0.00 C HETATM 29 C22 UNL 1 -4.546 0.653 -0.862 1.00 0.00 C HETATM 30 C23 UNL 1 -3.754 1.324 -0.074 1.00 0.00 C HETATM 31 C24 UNL 1 -2.605 0.785 0.730 1.00 0.00 C HETATM 32 C25 UNL 1 -2.510 -0.695 0.701 1.00 0.00 C HETATM 33 C26 UNL 1 -1.047 -1.042 0.997 1.00 0.00 C HETATM 34 C27 UNL 1 -0.903 -2.467 1.513 1.00 0.00 C HETATM 35 C28 UNL 1 -0.559 -0.175 2.144 1.00 0.00 C HETATM 36 C29 UNL 1 0.657 0.654 1.811 1.00 0.00 C HETATM 37 C30 UNL 1 1.695 -0.274 1.166 1.00 0.00 C HETATM 38 O8 UNL 1 2.909 0.317 0.984 1.00 0.00 O HETATM 39 C31 UNL 1 3.902 0.054 1.811 1.00 0.00 C HETATM 40 O9 UNL 1 4.253 1.311 2.392 1.00 0.00 O HETATM 41 C32 UNL 1 4.421 2.247 1.350 1.00 0.00 C HETATM 42 C33 UNL 1 3.351 3.204 1.166 1.00 0.00 C HETATM 43 O10 UNL 1 2.427 3.252 2.033 1.00 0.00 O HETATM 44 O11 UNL 1 3.357 4.033 0.071 1.00 0.00 O HETATM 45 C34 UNL 1 4.984 1.618 0.091 1.00 0.00 C HETATM 46 O12 UNL 1 5.716 2.621 -0.523 1.00 0.00 O HETATM 47 C35 UNL 1 6.056 0.610 0.715 1.00 0.00 C HETATM 48 O13 UNL 1 6.965 0.221 -0.189 1.00 0.00 O HETATM 49 C36 UNL 1 7.949 0.959 -0.669 1.00 0.00 C HETATM 50 O14 UNL 1 8.049 0.689 -2.036 1.00 0.00 O HETATM 51 C37 UNL 1 8.040 -0.736 -2.068 1.00 0.00 C HETATM 52 C38 UNL 1 9.161 -1.372 -1.317 1.00 0.00 C HETATM 53 O15 UNL 1 8.745 -2.173 -0.233 1.00 0.00 O HETATM 54 C39 UNL 1 10.085 -0.338 -0.717 1.00 0.00 C HETATM 55 O16 UNL 1 10.874 -0.961 0.290 1.00 0.00 O HETATM 56 C40 UNL 1 9.383 0.850 -0.179 1.00 0.00 C HETATM 57 O17 UNL 1 9.595 1.148 1.139 1.00 0.00 O HETATM 58 C41 UNL 1 10.285 2.351 1.287 1.00 0.00 C HETATM 59 O18 UNL 1 11.430 2.186 2.040 1.00 0.00 O HETATM 60 C42 UNL 1 12.347 3.216 1.827 1.00 0.00 C HETATM 61 C43 UNL 1 12.857 3.197 0.398 1.00 0.00 C HETATM 62 C44 UNL 1 11.724 4.525 2.217 1.00 0.00 C HETATM 63 O19 UNL 1 12.455 5.603 1.674 1.00 0.00 O HETATM 64 C45 UNL 1 10.313 4.697 1.757 1.00 0.00 C HETATM 65 O20 UNL 1 10.358 4.968 0.392 1.00 0.00 O HETATM 66 C46 UNL 1 9.487 3.427 2.014 1.00 0.00 C HETATM 67 O21 UNL 1 8.229 3.648 1.569 1.00 0.00 O HETATM 68 C47 UNL 1 5.269 -0.503 1.296 1.00 0.00 C HETATM 69 O22 UNL 1 5.195 -1.607 0.649 1.00 0.00 O HETATM 70 C48 UNL 1 5.045 -2.881 0.617 1.00 0.00 C HETATM 71 O23 UNL 1 6.352 -3.413 1.105 1.00 0.00 O HETATM 72 C49 UNL 1 6.284 -4.751 1.356 1.00 0.00 C HETATM 73 C50 UNL 1 5.177 -5.243 2.208 1.00 0.00 C HETATM 74 O24 UNL 1 5.359 -6.648 2.414 1.00 0.00 O HETATM 75 C51 UNL 1 6.216 -5.502 0.004 1.00 0.00 C HETATM 76 O25 UNL 1 5.019 -6.193 -0.017 1.00 0.00 O HETATM 77 C52 UNL 1 6.067 -4.419 -1.059 1.00 0.00 C HETATM 78 O26 UNL 1 5.961 -4.912 -2.328 1.00 0.00 O HETATM 79 C53 UNL 1 4.880 -3.539 -0.705 1.00 0.00 C HETATM 80 O27 UNL 1 3.779 -4.390 -0.808 1.00 0.00 O HETATM 81 C54 UNL 1 1.170 -0.654 -0.196 1.00 0.00 C HETATM 82 C55 UNL 1 1.598 0.461 -1.185 1.00 0.00 C HETATM 83 C56 UNL 1 1.960 -1.841 -0.634 1.00 0.00 C HETATM 84 C57 UNL 1 -0.299 -0.781 -0.262 1.00 0.00 C HETATM 85 C58 UNL 1 -0.718 -1.777 -1.281 1.00 0.00 C HETATM 86 C59 UNL 1 -2.193 -1.832 -1.531 1.00 0.00 C HETATM 87 C60 UNL 1 -3.138 -1.397 -0.431 1.00 0.00 C HETATM 88 C61 UNL 1 -3.685 -2.743 0.110 1.00 0.00 C HETATM 89 C62 UNL 1 -5.722 1.407 -1.381 1.00 0.00 C HETATM 90 C63 UNL 1 -5.453 2.648 -2.151 1.00 0.00 C HETATM 91 C64 UNL 1 -6.644 3.553 -1.885 1.00 0.00 C HETATM 92 C65 UNL 1 -6.198 4.549 -0.836 1.00 0.00 C HETATM 93 C66 UNL 1 -6.945 4.391 -3.125 1.00 0.00 C HETATM 94 H1 UNL 1 -9.984 3.754 2.409 1.00 0.00 H HETATM 95 H2 UNL 1 -9.455 5.437 2.144 1.00 0.00 H HETATM 96 H3 UNL 1 -8.275 4.133 2.598 1.00 0.00 H HETATM 97 H4 UNL 1 -8.691 3.490 -1.800 1.00 0.00 H HETATM 98 H5 UNL 1 -8.695 1.434 -2.689 1.00 0.00 H HETATM 99 H6 UNL 1 -12.141 -0.632 -0.822 1.00 0.00 H HETATM 100 H7 UNL 1 -10.361 -0.032 1.548 1.00 0.00 H HETATM 101 H8 UNL 1 -13.451 -1.729 0.054 1.00 0.00 H HETATM 102 H9 UNL 1 -15.209 -2.855 1.390 1.00 0.00 H HETATM 103 H10 UNL 1 -15.075 -2.918 3.797 1.00 0.00 H HETATM 104 H11 UNL 1 -13.225 -1.808 4.924 1.00 0.00 H HETATM 105 H12 UNL 1 -11.404 -0.646 3.593 1.00 0.00 H HETATM 106 H13 UNL 1 -5.971 0.247 -3.954 1.00 0.00 H HETATM 107 H14 UNL 1 -6.996 1.626 -3.813 1.00 0.00 H HETATM 108 H15 UNL 1 -7.761 -0.826 -4.554 1.00 0.00 H HETATM 109 H16 UNL 1 -7.624 -0.565 -0.297 1.00 0.00 H HETATM 110 H17 UNL 1 -10.253 -3.565 -1.857 1.00 0.00 H HETATM 111 H18 UNL 1 -8.842 -3.796 -2.941 1.00 0.00 H HETATM 112 H19 UNL 1 -8.908 -4.707 -1.318 1.00 0.00 H HETATM 113 H20 UNL 1 -5.672 -0.873 0.587 1.00 0.00 H HETATM 114 H21 UNL 1 -5.841 -2.314 -0.386 1.00 0.00 H HETATM 115 H22 UNL 1 -3.979 -0.691 -3.234 1.00 0.00 H HETATM 116 H23 UNL 1 -5.453 -1.708 -2.737 1.00 0.00 H HETATM 117 H24 UNL 1 -3.887 -2.336 -2.591 1.00 0.00 H HETATM 118 H25 UNL 1 -3.946 2.415 0.017 1.00 0.00 H HETATM 119 H26 UNL 1 -2.796 1.138 1.821 1.00 0.00 H HETATM 120 H27 UNL 1 -1.745 1.388 0.466 1.00 0.00 H HETATM 121 H28 UNL 1 -3.014 -1.050 1.662 1.00 0.00 H HETATM 122 H29 UNL 1 -0.647 -3.217 0.800 1.00 0.00 H HETATM 123 H30 UNL 1 -1.744 -2.710 2.217 1.00 0.00 H HETATM 124 H31 UNL 1 -0.017 -2.464 2.244 1.00 0.00 H HETATM 125 H32 UNL 1 -0.186 -0.832 3.009 1.00 0.00 H HETATM 126 H33 UNL 1 -1.330 0.422 2.653 1.00 0.00 H HETATM 127 H34 UNL 1 0.515 1.489 1.152 1.00 0.00 H HETATM 128 H35 UNL 1 1.089 1.003 2.763 1.00 0.00 H HETATM 129 H36 UNL 1 1.836 -1.097 1.885 1.00 0.00 H HETATM 130 H37 UNL 1 3.558 -0.579 2.651 1.00 0.00 H HETATM 131 H38 UNL 1 5.276 2.904 1.808 1.00 0.00 H HETATM 132 H39 UNL 1 2.680 3.990 -0.686 1.00 0.00 H HETATM 133 H40 UNL 1 4.297 1.142 -0.538 1.00 0.00 H HETATM 134 H41 UNL 1 5.649 2.620 -1.524 1.00 0.00 H HETATM 135 H42 UNL 1 6.489 1.347 1.392 1.00 0.00 H HETATM 136 H43 UNL 1 7.785 2.075 -0.545 1.00 0.00 H HETATM 137 H44 UNL 1 7.091 -1.086 -1.545 1.00 0.00 H HETATM 138 H45 UNL 1 7.914 -1.135 -3.099 1.00 0.00 H HETATM 139 H46 UNL 1 9.810 -2.012 -1.991 1.00 0.00 H HETATM 140 H47 UNL 1 9.135 -1.879 0.622 1.00 0.00 H HETATM 141 H48 UNL 1 10.801 -0.055 -1.524 1.00 0.00 H HETATM 142 H49 UNL 1 11.148 -0.268 0.909 1.00 0.00 H HETATM 143 H50 UNL 1 9.891 1.732 -0.789 1.00 0.00 H HETATM 144 H51 UNL 1 10.506 2.789 0.274 1.00 0.00 H HETATM 145 H52 UNL 1 13.220 3.024 2.480 1.00 0.00 H HETATM 146 H53 UNL 1 12.167 3.696 -0.322 1.00 0.00 H HETATM 147 H54 UNL 1 13.815 3.782 0.364 1.00 0.00 H HETATM 148 H55 UNL 1 13.108 2.161 0.158 1.00 0.00 H HETATM 149 H56 UNL 1 11.838 4.651 3.319 1.00 0.00 H HETATM 150 H57 UNL 1 12.647 5.452 0.706 1.00 0.00 H HETATM 151 H58 UNL 1 9.848 5.535 2.286 1.00 0.00 H HETATM 152 H59 UNL 1 9.436 5.253 0.127 1.00 0.00 H HETATM 153 H60 UNL 1 9.581 3.240 3.115 1.00 0.00 H HETATM 154 H61 UNL 1 7.517 3.585 2.254 1.00 0.00 H HETATM 155 H62 UNL 1 5.676 -0.754 2.336 1.00 0.00 H HETATM 156 H63 UNL 1 4.466 -3.390 1.429 1.00 0.00 H HETATM 157 H64 UNL 1 7.253 -5.054 1.828 1.00 0.00 H HETATM 158 H65 UNL 1 4.197 -5.194 1.650 1.00 0.00 H HETATM 159 H66 UNL 1 5.025 -4.730 3.153 1.00 0.00 H HETATM 160 H67 UNL 1 4.810 -6.871 3.233 1.00 0.00 H HETATM 161 H68 UNL 1 7.040 -6.182 -0.121 1.00 0.00 H HETATM 162 H69 UNL 1 5.163 -6.987 -0.597 1.00 0.00 H HETATM 163 H70 UNL 1 6.948 -3.768 -0.999 1.00 0.00 H HETATM 164 H71 UNL 1 6.003 -4.167 -2.990 1.00 0.00 H HETATM 165 H72 UNL 1 4.739 -2.772 -1.527 1.00 0.00 H HETATM 166 H73 UNL 1 3.543 -4.547 -1.771 1.00 0.00 H HETATM 167 H74 UNL 1 0.752 0.682 -1.861 1.00 0.00 H HETATM 168 H75 UNL 1 1.783 1.357 -0.581 1.00 0.00 H HETATM 169 H76 UNL 1 2.490 0.144 -1.784 1.00 0.00 H HETATM 170 H77 UNL 1 2.986 -1.413 -0.891 1.00 0.00 H HETATM 171 H78 UNL 1 2.146 -2.563 0.174 1.00 0.00 H HETATM 172 H79 UNL 1 1.651 -2.304 -1.584 1.00 0.00 H HETATM 173 H80 UNL 1 -0.701 0.192 -0.677 1.00 0.00 H HETATM 174 H81 UNL 1 -0.232 -2.743 -1.055 1.00 0.00 H HETATM 175 H82 UNL 1 -0.176 -1.456 -2.232 1.00 0.00 H HETATM 176 H83 UNL 1 -2.333 -2.893 -1.843 1.00 0.00 H HETATM 177 H84 UNL 1 -2.341 -1.219 -2.438 1.00 0.00 H HETATM 178 H85 UNL 1 -4.394 -2.564 0.932 1.00 0.00 H HETATM 179 H86 UNL 1 -4.245 -3.279 -0.700 1.00 0.00 H HETATM 180 H87 UNL 1 -2.890 -3.460 0.350 1.00 0.00 H HETATM 181 H88 UNL 1 -6.208 1.856 -0.408 1.00 0.00 H HETATM 182 H89 UNL 1 -5.276 2.495 -3.226 1.00 0.00 H HETATM 183 H90 UNL 1 -4.506 3.092 -1.770 1.00 0.00 H HETATM 184 H91 UNL 1 -5.078 4.714 -0.920 1.00 0.00 H HETATM 185 H92 UNL 1 -6.322 4.106 0.191 1.00 0.00 H HETATM 186 H93 UNL 1 -6.755 5.496 -0.943 1.00 0.00 H HETATM 187 H94 UNL 1 -6.039 4.273 -3.796 1.00 0.00 H HETATM 188 H95 UNL 1 -7.819 3.968 -3.669 1.00 0.00 H HETATM 189 H96 UNL 1 -7.034 5.458 -2.889 1.00 0.00 H CONECT 1 2 94 95 96 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 91 97 CONECT 6 7 18 98 CONECT 7 8 CONECT 8 9 9 10 CONECT 10 11 11 99 CONECT 11 12 100 CONECT 12 13 13 17 CONECT 13 14 101 CONECT 14 15 15 102 CONECT 15 16 103 CONECT 16 17 17 104 CONECT 17 105 CONECT 18 19 21 89 CONECT 19 20 106 107 CONECT 20 108 CONECT 21 22 26 109 CONECT 22 23 CONECT 23 24 25 25 CONECT 24 110 111 112 CONECT 26 27 113 114 CONECT 27 28 29 87 CONECT 28 115 116 117 CONECT 29 30 30 89 CONECT 30 31 118 CONECT 31 32 119 120 CONECT 32 33 87 121 CONECT 33 34 35 84 CONECT 34 122 123 124 CONECT 35 36 125 126 CONECT 36 37 127 128 CONECT 37 38 81 129 CONECT 38 39 CONECT 39 40 68 130 CONECT 40 41 CONECT 41 42 45 131 CONECT 42 43 43 44 CONECT 44 132 CONECT 45 46 47 133 CONECT 46 134 CONECT 47 48 68 135 CONECT 48 49 CONECT 49 50 56 136 CONECT 50 51 CONECT 51 52 137 138 CONECT 52 53 54 139 CONECT 53 140 CONECT 54 55 56 141 CONECT 55 142 CONECT 56 57 143 CONECT 57 58 CONECT 58 59 66 144 CONECT 59 60 CONECT 60 61 62 145 CONECT 61 146 147 148 CONECT 62 63 64 149 CONECT 63 150 CONECT 64 65 66 151 CONECT 65 152 CONECT 66 67 153 CONECT 67 154 CONECT 68 69 155 CONECT 69 70 CONECT 70 71 79 156 CONECT 71 72 CONECT 72 73 75 157 CONECT 73 74 158 159 CONECT 74 160 CONECT 75 76 77 161 CONECT 76 162 CONECT 77 78 79 163 CONECT 78 164 CONECT 79 80 165 CONECT 80 166 CONECT 81 82 83 84 CONECT 82 167 168 169 CONECT 83 170 171 172 CONECT 84 85 173 CONECT 85 86 174 175 CONECT 86 87 176 177 CONECT 87 88 CONECT 88 178 179 180 CONECT 89 90 181 CONECT 90 91 182 183 CONECT 91 92 93 CONECT 92 184 185 186 CONECT 93 187 188 189 END SMILES for HMDB0036486 (Assamsaponin J)CC1OC(OC2C(O)C(O)COC2OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(OC(C)=O)C(OC(=O)\C=C\C7=CC=CC=C7)C6(CO)C(CC54C)OC(C)=O)C3(C)C)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O INCHI for HMDB0036486 (Assamsaponin J)InChI=1S/C66H96O27/c1-29-42(73)45(76)47(78)57(84-29)92-52-43(74)35(71)27-83-59(52)90-50-49(80)51(56(81)82)91-60(53(50)93-58-48(79)46(77)44(75)36(26-67)87-58)88-39-21-22-63(8)37(62(39,6)7)20-23-64(9)38(63)18-17-33-34-24-61(4,5)54(86-31(3)70)55(89-41(72)19-16-32-14-12-11-13-15-32)66(34,28-68)40(85-30(2)69)25-65(33,64)10/h11-17,19,29,34-40,42-55,57-60,67-68,71,73-80H,18,20-28H2,1-10H3,(H,81,82)/b19-16+ 3D Structure for HMDB0036486 (Assamsaponin J) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C66H96O27 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 1321.4522 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 1320.613897866 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 6-{[8,10-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2E)-3-phenylprop-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 6-{[8,10-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2E)-3-phenylprop-2-enoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | 316157-19-4 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC1OC(OC2C(O)C(O)COC2OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(OC(C)=O)C(OC(=O)\C=C\C7=CC=CC=C7)C6(CO)C(CC54C)OC(C)=O)C3(C)C)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C66H96O27/c1-29-42(73)45(76)47(78)57(84-29)92-52-43(74)35(71)27-83-59(52)90-50-49(80)51(56(81)82)91-60(53(50)93-58-48(79)46(77)44(75)36(26-67)87-58)88-39-21-22-63(8)37(62(39,6)7)20-23-64(9)38(63)18-17-33-34-24-61(4,5)54(86-31(3)70)55(89-41(72)19-16-32-14-12-11-13-15-32)66(34,28-68)40(85-30(2)69)25-65(33,64)10/h11-17,19,29,34-40,42-55,57-60,67-68,71,73-80H,18,20-28H2,1-10H3,(H,81,82)/b19-16+ | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | WMDYPPZNMOEMLX-KNTRCKAVSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Prenol lipids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Terpene glycosides | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Triterpene saponins | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | Biological location
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| Process | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Solid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
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| Predicted Chromatographic Properties | Predicted Collision Cross Sections
Predicted Kovats Retention IndicesNot Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
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| Biological Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations |
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| Biospecimen Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Tissue Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Pathways |
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| Normal Concentrations | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Abnormal Concentrations | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated Disorders and Diseases | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disease References | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated OMIM IDs | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FooDB ID | FDB015381 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | C00054174 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | 131752002 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| VMH ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MarkerDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | rw1855531 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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