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preandiloid B
MNXM148462 is deprecated and here replaced by MNXM1368238
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368238 |
 |
| reference | chebi:232433 |
| formula | C25H32O5 |
| global charge | 0 |
| mol weight | 412.526 |
| InChIKey | CALHDWXNCZWYDF-UVHKRSBMSA-N |
| InChI | InChI=1S/C25H32O5/c1-13-19(27)18-14(12-29-21(18)28)24(5)11-16-23(4)9-8-17(26)22(2,3)15(23)7-10-25(16,6)30-20(13)24/h15-16H,7-12H2,1-6H3/t15-,16-,23-,24+,25-/m0/s1 |
| SMILES | CC1=C2O[C@@]3(C)CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3C[C@]2(C)C2=C(C(=O)OC2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C25H32O5/c1-13-19(27)18-14(12-29-21(18)28)24(5)11-16-23(4)9-8-17(26)22(2,3)15(23)7-10-25(16,6)30-20(13)24/h15-16H,7-12H2,1-6H3/t15-,16-,23-,24+,25-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[C:20]2[C@:24]([CH3:5])([CH2:11][C@H:16]3[C@@:23]4([CH3:4])[CH2:9][CH2:8][C:17](=[O:26])[C:22]([CH3:2])([CH3:3])[C@@H:15]4[CH2:7][CH2:10][C@:25]3([CH3:6])[O:30]2)[C:14]2=[C:18]([C:19]1=[O:27])[C:21](=[O:28])[O:29][CH2:12]2 |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 4 |
| in models (compartimentalized) |
0 |
|