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aurachin A
MNXM148954 is deprecated and here replaced by MNXM729212
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM729212 |
 |
| reference | chebi:90924 |
| formula | C25H33NO3 |
| global charge | 0 |
| mol weight | 395.543 |
| InChIKey | ZEUIHPOXFICJIT-ZVWRMSPBSA-N |
| InChI | InChI=1S/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-20-13-6-7-14-22(20)26(28)19(4)24(21)29-23/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3/b18-12+/t23-,25+/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@H]1CC2=C(O1)C(C)=[N+]([O-])C1=C2C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-20-13-6-7-14-22(20)26(28)19(4)24(21)29-23/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3/b18-12+/t23-,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]([CH3:2])=[CH:10][CH2:8][CH2:11]/[C:18]([CH3:3])=[CH:12]/[CH2:9][CH2:15][C@@:25]([CH3:5])([C@H:23]1[CH2:16][C:21]2=[C:24]([C:19]([CH3:4])=[N+:26]([O-:28])[C:22]3=[CH:14][CH:7]=[CH:6][CH:13]=[C:20]23)[O:29]1)[OH:27] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:90924
chebi:90924
ZEUIHPOXFICJIT-ZVWRMSPBSA-N
| aurachin A
aurichan-A
rel-(2R,5E)-6,10-dimethyl-2-[(2S)4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-2-yl]undeca-5,9-dien-2-ol
|