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Terpendole I
MNXM146313 is deprecated and here replaced by MNXM1100326
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1100326 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 6 |
| in models (compartimentalized) |
0 |
|
| formula | C27H35NO5 |
| charge | 0 |
| mass | 453.25152 |
| reference | chebi:144412 |
| InChIKey | AKOANWZRKXOJTC-ZWNZASDISA-N |
| InChI | InChI=1S/C27H35NO5/c1-23(2,30)21-19(29)22-27(33-22)18(32-21)10-11-24(3)25(4)14(9-12-26(24,27)31)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,18-19,21-22,28-31H,9-13H2,1-4H3/t14-,18-,19+,21-,22+,24+,25+,26-,27-/m0/s1 |
| SMILES | CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6ccccc6c5C[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@@H]1O |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:144412
chebi:144412
| Terpendole I
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol
|
seed.compound:cpd31179
seedM:cpd31179
kegg.compound:C20543
keggC:C20543
| Terpendole I
|
metacyc.compound:CPD-17196
metacycM:CPD-17196
seed.compound:cpd32299
seedM:cpd32299
| terpendole I
|
keggC:M_C20543
seedM:M_cpd31179
seedM:M_cpd32299
| secondary/obsolete/fantasy identifier
|
