Showing NP-Card for perenniporide F (NP0351636)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2025-10-02 18:51:31 UTC | |||||||||||||||
| Updated at | 2025-12-20 01:41:08 UTC | |||||||||||||||
| NP-MRD ID | NP0351636 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/4700 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | perenniporide F | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0351636 (perenniporide F)
Mrv2104 04082312032D
25 26 0 0 1 0 999 V2000
1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 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 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 O 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
1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8986 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1808 1.4072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9933 1.5505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6505 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1620 1.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9327 2.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9592 0.6320 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
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 O 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
3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.6500 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
2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -2.4750 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
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 1 0 0 0 0
7 4 1 0 0 0 0
7 8 1 1 0 0 0
9 8 1 0 0 0 0
9 10 1 6 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
7 14 1 6 0 0 0
7 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
17 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
15 25 1 0 0 0 0
2 25 1 0 0 0 0
M END
3D SDF for NP0351636 (perenniporide F)
Mrv2104 04082312032D
25 26 0 0 1 0 999 V2000
1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 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 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 O 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
1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8986 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1808 1.4072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9933 1.5505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6505 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1620 1.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9327 2.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9592 0.6320 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
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 O 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
3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.6500 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
2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -2.4750 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
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 1 0 0 0 0
7 4 1 0 0 0 0
7 8 1 1 0 0 0
9 8 1 0 0 0 0
9 10 1 6 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
7 14 1 6 0 0 0
7 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
17 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
15 25 1 0 0 0 0
2 25 1 0 0 0 0
M END
> <DATABASE_ID>
NP0351636
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CCC1=C(OC)C=C2C(C(=O)C=C(OC)[C@@]2(O)C[C@@H](O)C(O)=O)=C1O
> <INCHI_IDENTIFIER>
InChI=1S/C17H20O8/c1-4-8-12(24-2)5-9-14(15(8)20)10(18)6-13(25-3)17(9,23)7-11(19)16(21)22/h5-6,11,19-20,23H,4,7H2,1-3H3,(H,21,22)/t11-,17-/m1/s1
> <INCHI_KEY>
GYDHNRQGLDWRHK-PIGZYNQJSA-N
> <FORMULA>
C17H20O8
> <MOLECULAR_WEIGHT>
352.339
> <EXACT_MASS>
352.115817604
$$$$
PDB for NP0351636 (perenniporide F)HEADER PROTEIN 08-APR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 08-APR-23 0 HETATM 1 O UNK 0 2.667 -4.620 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 0.000 0.000 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 1.677 1.180 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.204 2.627 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 3.721 2.894 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 1.214 3.807 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 -0.302 3.539 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 1.741 5.254 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 3.657 1.180 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 8.002 -0.000 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 9.336 -0.770 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 8.002 -3.080 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 9.336 -2.310 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 5.335 -4.620 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 25 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 CONECT 6 5 CONECT 7 4 8 14 15 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 13 CONECT 12 11 CONECT 13 11 CONECT 14 7 CONECT 15 7 16 25 CONECT 16 15 17 CONECT 17 16 18 20 CONECT 18 17 19 CONECT 19 18 CONECT 20 17 21 23 CONECT 21 20 22 CONECT 22 21 CONECT 23 20 24 25 CONECT 24 23 CONECT 25 23 15 2 MASTER 0 0 0 0 0 0 0 0 25 0 52 0 END SMILES for NP0351636 (perenniporide F)CCC1=C(OC)C=C2C(C(=O)C=C(OC)[C@@]2(O)C[C@@H](O)C(O)=O)=C1O INCHI for NP0351636 (perenniporide F)InChI=1S/C17H20O8/c1-4-8-12(24-2)5-9-14(15(8)20)10(18)6-13(25-3)17(9,23)7-11(19)16(21)22/h5-6,11,19-20,23H,4,7H2,1-3H3,(H,21,22)/t11-,17-/m1/s1 3D Structure for NP0351636 (perenniporide F) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C17H20O8 | |||||||||||||||
| Average Mass | 352.3390 Da | |||||||||||||||
| Monoisotopic Mass | 352.11582 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CCC1=C(OC)C=C2C(C(=O)C=C(OC)[C@@]2(O)C[C@@H](O)C(O)=O)=C1O | |||||||||||||||
| InChI Identifier | InChI=1S/C17H20O8/c1-4-8-12(24-2)5-9-14(15(8)20)10(18)6-13(25-3)17(9,23)7-11(19)16(21)22/h5-6,11,19-20,23H,4,7H2,1-3H3,(H,21,22)/t11-,17-/m1/s1 | |||||||||||||||
| InChI Key | GYDHNRQGLDWRHK-PIGZYNQJSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||
| 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 | ||||||||||||||||
