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13-[(E)-2-methylcrotonoyl]oxylupanine
MNXM165532 is deprecated and here replaced by MNXM731160
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM731160 |
 |
| reference | metacycM:CPD-8918 |
| formula | C20H31N2O3 |
| global charge | 1 |
| mol weight | 347.479 |
| InChIKey | UPVPJQNTGLTBPC-VFMSDNQISA-O |
| InChI | InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/p+1/b13-3+/t14?,15?,16-,17?,18?/m1/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@@H]1CC[NH+]2CC3CC(CN4C(=O)CCCC34)C2C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/b13-3+/t14?,15?,16-,17?,18?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:3]=[C:13](\[CH3:2])[C:20](=[O:24])[O:25][C@@H:16]1[CH2:7][CH2:8][N:21]2[CH2:11][CH:14]3[CH2:9][CH:15]([CH2:12][N:22]4[CH:17]3[CH2:5][CH2:4][CH2:6][C:19]4=[O:23])[CH:18]2[CH2:10]1 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|