Showing NP-Card for spoanthraquinone A (NP0354034)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-05-07 01:49:04 UTC | |||||||||||||||
| Updated at | 2026-05-07 04:00:33 UTC | |||||||||||||||
| NP-MRD ID | NP0354034 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/8600 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | spoanthraquinone A | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0354034 (spoanthraquinone A)
Mrv2104 06042322552D
27 29 0 0 0 0 999 V2000
2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 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
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
6 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
12 16 2 0 0 0 0
11 17 2 0 0 0 0
3 17 1 0 0 0 0
17 18 1 0 0 0 0
4 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 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 1 0 0 0 0
24 26 2 0 0 0 0
20 26 1 0 0 0 0
2 26 1 0 0 0 0
19 27 2 0 0 0 0
M END
3D SDF for NP0354034 (spoanthraquinone A)
Mrv2104 06042322552D
27 29 0 0 0 0 999 V2000
2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 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
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
6 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
12 16 2 0 0 0 0
11 17 2 0 0 0 0
3 17 1 0 0 0 0
17 18 1 0 0 0 0
4 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 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 1 0 0 0 0
24 26 2 0 0 0 0
20 26 1 0 0 0 0
2 26 1 0 0 0 0
19 27 2 0 0 0 0
M END
> <DATABASE_ID>
NP0354034
> <DATABASE_NAME>
NP-MRD
> <SMILES>
C\C=C\C(=O)C1=C(O)C2=C(C=C1CC(O)=O)C(=O)C1=CC=CC(O)=C1C2=O
> <INCHI_IDENTIFIER>
InChI=1S/C20H14O7/c1-2-4-12(21)15-9(8-14(23)24)7-11-17(19(15)26)20(27)16-10(18(11)25)5-3-6-13(16)22/h2-7,22,26H,8H2,1H3,(H,23,24)/b4-2+
> <INCHI_KEY>
HPUYGIZUQMATHR-DUXPYHPUSA-N
> <FORMULA>
C20H14O7
> <MOLECULAR_WEIGHT>
366.325
> <EXACT_MASS>
366.073952791
$$$$
PDB for NP0354034 (spoanthraquinone A)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 4.001 3.850 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.335 -0.000 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 8.002 -0.000 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 9.336 -0.770 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 9.336 -2.310 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 10.669 -3.080 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 8.002 -3.080 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 9.336 2.310 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 9.336 3.850 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 8.002 4.620 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 8.002 6.160 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 10.669 1.540 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 6.668 3.850 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 1.334 3.850 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 4.001 -2.310 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 26 CONECT 3 2 4 17 CONECT 4 3 5 19 CONECT 5 4 6 CONECT 6 5 7 11 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 CONECT 11 6 12 17 CONECT 12 11 13 16 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 CONECT 16 12 CONECT 17 11 3 18 CONECT 18 17 CONECT 19 4 20 27 CONECT 20 19 21 26 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 20 2 CONECT 27 19 MASTER 0 0 0 0 0 0 0 0 27 0 58 0 END SMILES for NP0354034 (spoanthraquinone A)C\C=C\C(=O)C1=C(O)C2=C(C=C1CC(O)=O)C(=O)C1=CC=CC(O)=C1C2=O INCHI for NP0354034 (spoanthraquinone A)InChI=1S/C20H14O7/c1-2-4-12(21)15-9(8-14(23)24)7-11-17(19(15)26)20(27)16-10(18(11)25)5-3-6-13(16)22/h2-7,22,26H,8H2,1H3,(H,23,24)/b4-2+ 3D Structure for NP0354034 (spoanthraquinone A) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C20H14O7 | |||||||||||||||
| Average Mass | 366.3250 Da | |||||||||||||||
| Monoisotopic Mass | 366.07395 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | C\C=C\C(=O)C1=C(O)C2=C(C=C1CC(O)=O)C(=O)C1=CC=CC(O)=C1C2=O | |||||||||||||||
| InChI Identifier | InChI=1S/C20H14O7/c1-2-4-12(21)15-9(8-14(23)24)7-11-17(19(15)26)20(27)16-10(18(11)25)5-3-6-13(16)22/h2-7,22,26H,8H2,1H3,(H,23,24)/b4-2+ | |||||||||||||||
| InChI Key | HPUYGIZUQMATHR-DUXPYHPUSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
| ||||||||||||||||
| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
| |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
| |||||||||||||||
| Predicted Properties |
| |||||||||||||||
| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | ||||||||||||||||
