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4-demethylpremithracinone
MNXM92970 is deprecated and here replaced by MNXM1372566
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1372566 |
 |
| reference | metacycM:CPD-14360 |
| formula | C20H16O9 |
| global charge | 0 |
| mol weight | 400.339 |
| InChIKey | SYVXQNYIAZOFPG-KAFSRPFYSA-N |
| InChI | InChI=1S/C20H16O9/c1-6(21)12-17(26)15(24)10-4-8-2-7-3-9(22)5-11(23)13(7)16(25)14(8)19(28)20(10,29)18(12)27/h2-5,10,15,22-26,28-29H,1H3/t10-,15-,20+/m0/s1 |
| SMILES | CC(=O)C1=C(O)[C@@H](O)[C@@H]2C=C3C=C4C=C(O)C=C(O)C4=C(O)C3=C(O)[C@]2(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C20H16O9/c1-6(21)12-17(26)15(24)10-4-8-2-7-3-9(22)5-11(23)13(7)16(25)14(8)19(28)20(10,29)18(12)27/h2-5,10,15,22-26,28-29H,1H3/t10-,15-,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:6]([C:12]1=[C:17]([OH:26])[C@@H:15]([OH:24])[C@@H:10]2[CH:4]=[C:8]3[CH:2]=[C:7]4[CH:3]=[C:9]([OH:22])[CH:5]=[C:11]([OH:23])[C:13]4=[C:16]([OH:25])[C:14]3=[C:19]([OH:28])[C@:20]2([OH:29])[C:18]1=[O:27])=[O:21] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|