Showing NP-Card for spiromycin B (NP0354029)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-05-07 01:46:07 UTC | |||||||||||||||
| Updated at | 2026-05-07 04:00:33 UTC | |||||||||||||||
| NP-MRD ID | NP0354029 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/8595 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | spiromycin B | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0354029 (spiromycin B)
Mrv2104 06042322522D
29 33 0 0 1 0 999 V2000
1.5774 2.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0155 1.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6327 1.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8822 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6880 0.4906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0956 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9037 -0.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9956 0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5130 -0.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2442 1.0999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9947 1.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1889 2.0633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3831 2.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1336 3.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3278 3.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6898 3.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4956 3.4590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0518 4.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7451 2.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8269 1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3260 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5202 0.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 -0.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0913 0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4649 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2154 1.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2707 1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5756 -0.7280 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
5 4 1 0 0 0 0
5 6 1 6 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
5 10 1 0 0 0 0
10 8 1 6 0 0 0
10 11 1 0 0 0 0
12 11 1 6 0 0 0
12 3 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
17 16 1 0 0 0 0
17 18 1 6 0 0 0
17 19 1 0 0 0 0
12 19 1 0 0 0 0
13 20 2 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 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 1 0 0 0 0
26 28 2 0 0 0 0
22 28 1 0 0 0 0
2 28 1 0 0 0 0
21 29 2 0 0 0 0
M END
3D SDF for NP0354029 (spiromycin B)
Mrv2104 06042322522D
29 33 0 0 1 0 999 V2000
1.5774 2.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0155 1.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6327 1.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8822 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6880 0.4906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0956 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9037 -0.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9956 0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5130 -0.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2442 1.0999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9947 1.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1889 2.0633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3831 2.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1336 3.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3278 3.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6898 3.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4956 3.4590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0518 4.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7451 2.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8269 1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3260 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5202 0.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 -0.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0913 0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4649 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2154 1.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2707 1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5756 -0.7280 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
5 4 1 0 0 0 0
5 6 1 6 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
5 10 1 0 0 0 0
10 8 1 6 0 0 0
10 11 1 0 0 0 0
12 11 1 6 0 0 0
12 3 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
17 16 1 0 0 0 0
17 18 1 6 0 0 0
17 19 1 0 0 0 0
12 19 1 0 0 0 0
13 20 2 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 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 1 0 0 0 0
26 28 2 0 0 0 0
22 28 1 0 0 0 0
2 28 1 0 0 0 0
21 29 2 0 0 0 0
M END
> <DATABASE_ID>
NP0354029
> <DATABASE_NAME>
NP-MRD
> <SMILES>
C[C@@H]1O[C@]2(O[C@@H]3CC(=O)O[C@@H]3C3=C2C(=O)C2=C(O)C=CC=C2C3=O)C(=O)C(O)=C1
> <INCHI_IDENTIFIER>
InChI=1S/C20H14O9/c1-7-5-10(22)19(26)20(28-7)15-14(18-11(29-20)6-12(23)27-18)16(24)8-3-2-4-9(21)13(8)17(15)25/h2-5,7,11,18,21-22H,6H2,1H3/t7-,11+,18-,20+/m0/s1
> <INCHI_KEY>
QBTFOPXBPCRCTK-YHDBVRJASA-N
> <FORMULA>
C20H14O9
> <MOLECULAR_WEIGHT>
398.323
> <EXACT_MASS>
398.063782031
$$$$
PDB for NP0354029 (spiromycin B)HEADER PROTEIN 04-JUN-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUN-23 0 HETATM 1 O UNK 0 2.944 4.513 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 3.762 2.494 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 4.914 2.714 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.380 1.246 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 6.884 0.916 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 7.645 -0.423 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 9.154 -0.113 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 9.325 1.417 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 10.291 -1.151 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 7.923 2.053 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 7.457 3.521 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 5.953 3.852 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 4.449 4.182 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 3.983 5.650 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 2.479 5.980 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 5.021 6.787 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.525 6.457 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 7.563 7.594 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 6.991 4.989 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 3.410 3.045 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 4.342 0.109 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 2.838 0.440 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 1.800 -0.698 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 0.295 -0.367 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.170 1.100 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 0.868 2.238 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 0.402 3.706 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 2.372 1.907 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 4.808 -1.359 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 28 CONECT 3 2 4 12 CONECT 4 3 5 21 CONECT 5 4 6 10 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 10 CONECT 9 7 CONECT 10 5 8 11 CONECT 11 10 12 CONECT 12 11 3 13 19 CONECT 13 12 14 20 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 12 CONECT 20 13 CONECT 21 4 22 29 CONECT 22 21 23 28 CONECT 23 22 24 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 22 2 CONECT 29 21 MASTER 0 0 0 0 0 0 0 0 29 0 66 0 END SMILES for NP0354029 (spiromycin B)C[C@@H]1O[C@]2(O[C@@H]3CC(=O)O[C@@H]3C3=C2C(=O)C2=C(O)C=CC=C2C3=O)C(=O)C(O)=C1 INCHI for NP0354029 (spiromycin B)InChI=1S/C20H14O9/c1-7-5-10(22)19(26)20(28-7)15-14(18-11(29-20)6-12(23)27-18)16(24)8-3-2-4-9(21)13(8)17(15)25/h2-5,7,11,18,21-22H,6H2,1H3/t7-,11+,18-,20+/m0/s1 3D Structure for NP0354029 (spiromycin B) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C20H14O9 | |||||||||||||||
| Average Mass | 398.3230 Da | |||||||||||||||
| Monoisotopic Mass | 398.06378 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | C[C@@H]1O[C@]2(O[C@@H]3CC(=O)O[C@@H]3C3=C2C(=O)C2=C(O)C=CC=C2C3=O)C(=O)C(O)=C1 | |||||||||||||||
| InChI Identifier | InChI=1S/C20H14O9/c1-7-5-10(22)19(26)20(28-7)15-14(18-11(29-20)6-12(23)27-18)16(24)8-3-2-4-9(21)13(8)17(15)25/h2-5,7,11,18,21-22H,6H2,1H3/t7-,11+,18-,20+/m0/s1 | |||||||||||||||
| InChI Key | QBTFOPXBPCRCTK-YHDBVRJASA-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 | ||||||||||||||||
