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(6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one
MNXM4444 is deprecated and here replaced by MNXM736222
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM736222 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C20H20N2O3 |
charge | 0 |
mass | 336.14739 |
reference | chebi:22450 |
InChIKey | SZINUGQCTHLQAZ-DQYPLSBCSA-N |
InChI | InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1 |
SMILES | CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O |
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Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
Identifier | Description |
CHEBI:22450 chebi:22450
| (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one alpha-Cyclopiazonic acid cyclopiazonic acid
|
kegg.compound:C03032 keggC:C03032
| Cyclopiazonic acid CPA alpha-Cyclopiazonate alpha-Cyclopiazonic acid
|
keggC:M_C03032
| secondary/obsolete/fantasy identifier
|