Showing NP-Card for angularine N-oxide (NP0353511)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-22 12:47:20 UTC | |||||||||||||||
| Updated at | 2026-02-22 16:00:44 UTC | |||||||||||||||
| NP-MRD ID | NP0353511 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/8020 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | angularine N-oxide | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0353511 (angularine N-oxide)
Mrv2104 03232309592D
29 31 0 0 1 0 999 V2000
2.8669 -2.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7462 -1.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 -0.8294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0870 -0.3650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5191 -0.9470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5314 -0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4606 -1.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8301 -0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5121 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2551 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9371 -0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3163 -1.4402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6552 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1159 -1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6344 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3775 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6955 -2.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0136 -3.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0748 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3929 -4.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2705 -2.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5886 -3.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2094 -2.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4663 -1.6521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3017 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9541 -2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8792 -1.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0259 0.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6620 -0.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 6 0 0 0
5 7 1 0 0 0 0
2 7 1 0 0 0 0
4 8 1 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
12 10 1 0 0 0 0
12 13 1 1 0 0 0
12 14 1 6 0 0 0
12 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
24 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
2 26 1 0 0 0 0
24 27 1 1 0 0 0
4 28 1 6 0 0 0
3 29 1 6 0 0 0
M END
3D SDF for NP0353511 (angularine N-oxide)
Mrv2104 03232309592D
29 31 0 0 1 0 999 V2000
2.8669 -2.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7462 -1.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 -0.8294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0870 -0.3650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5191 -0.9470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5314 -0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4606 -1.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8301 -0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5121 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2551 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9371 -0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3163 -1.4402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6552 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1159 -1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6344 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3775 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6955 -2.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0136 -3.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0748 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3929 -4.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2705 -2.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5886 -3.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2094 -2.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4663 -1.6521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3017 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9541 -2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8792 -1.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0259 0.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6620 -0.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 6 0 0 0
5 7 1 0 0 0 0
2 7 1 0 0 0 0
4 8 1 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
12 10 1 0 0 0 0
12 13 1 1 0 0 0
12 14 1 6 0 0 0
12 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
24 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
2 26 1 0 0 0 0
24 27 1 1 0 0 0
4 28 1 6 0 0 0
3 29 1 6 0 0 0
M END
> <DATABASE_ID>
NP0353511
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H][C@]12CCN3(=O)C[C@@H](O)[C@]([H])(COC(=O)[C@](C)(O)C(=C)C\C(=C\C)C(=O)O1)[C@]23[H]
> <INCHI_IDENTIFIER>
InChI=1S/C18H25NO7/c1-4-11-7-10(2)18(3,23)17(22)25-9-12-13(20)8-19(24)6-5-14(15(12)19)26-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+,19?/m0/s1
> <INCHI_KEY>
GPIKVBAUFPRYAQ-NUDPSEGVSA-N
> <FORMULA>
C18H25NO7
> <MOLECULAR_WEIGHT>
367.398
> <EXACT_MASS>
367.163102149
$$$$
PDB for NP0353511 (angularine N-oxide)HEADER PROTEIN 23-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-MAR-23 0 HETATM 1 O UNK 0 5.352 -4.505 0.000 0.00 0.00 O+0 HETATM 2 N UNK 0 5.126 -2.955 0.000 0.00 0.00 N+0 HETATM 3 C UNK 0 4.490 -1.548 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.762 -0.681 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 6.569 -1.768 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 8.459 -1.193 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 6.460 -3.074 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 7.150 -1.350 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 8.423 -0.484 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 9.810 -1.153 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 11.083 -0.286 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 9.924 -2.688 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 10.556 -4.093 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 11.416 -2.309 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 8.651 -3.555 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 10.038 -4.224 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 8.765 -5.091 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 7.492 -5.958 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 7.606 -7.493 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 6.333 -8.360 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 6.105 -5.289 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 4.832 -6.155 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 5.991 -3.753 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 4.604 -3.084 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 2.430 -2.951 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 3.648 -3.893 0.000 0.00 0.00 C+0 HETATM 27 H UNK 0 3.508 -2.002 0.000 0.00 0.00 H+0 HETATM 28 H UNK 0 5.648 0.854 0.000 0.00 0.00 H+0 HETATM 29 H UNK 0 3.102 -0.879 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 7 26 CONECT 3 2 4 24 29 CONECT 4 3 5 8 28 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 2 CONECT 8 4 9 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 14 15 CONECT 13 12 CONECT 14 12 CONECT 15 12 16 17 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 21 CONECT 19 18 20 CONECT 20 19 CONECT 21 18 22 23 CONECT 22 21 CONECT 23 21 24 CONECT 24 23 3 25 27 CONECT 25 24 26 CONECT 26 25 2 CONECT 27 24 CONECT 28 4 CONECT 29 3 MASTER 0 0 0 0 0 0 0 0 29 0 62 0 END SMILES for NP0353511 (angularine N-oxide)[H][C@]12CCN3(=O)C[C@@H](O)[C@]([H])(COC(=O)[C@](C)(O)C(=C)C\C(=C\C)C(=O)O1)[C@]23[H] INCHI for NP0353511 (angularine N-oxide)InChI=1S/C18H25NO7/c1-4-11-7-10(2)18(3,23)17(22)25-9-12-13(20)8-19(24)6-5-14(15(12)19)26-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+,19?/m0/s1 3D Structure for NP0353511 (angularine N-oxide) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C18H25NO7 | |||||||||||||||
| Average Mass | 367.3980 Da | |||||||||||||||
| Monoisotopic Mass | 367.16310 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | [H][C@]12CCN3(=O)C[C@@H](O)[C@]([H])(COC(=O)[C@](C)(O)C(=C)C\C(=C\C)C(=O)O1)[C@]23[H] | |||||||||||||||
| InChI Identifier | InChI=1S/C18H25NO7/c1-4-11-7-10(2)18(3,23)17(22)25-9-12-13(20)8-19(24)6-5-14(15(12)19)26-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+,19?/m0/s1 | |||||||||||||||
| InChI Key | GPIKVBAUFPRYAQ-NUDPSEGVSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | ||||||||||||||||
