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terpendole J
MNXM109209 is deprecated and here replaced by MNXM1100327
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1100327 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 5 |
| in models (compartimentalized) |
0 |
|
| formula | C32H43NO5 |
| charge | 0 |
| mass | 521.31412 |
| reference | chebi:66209 |
| InChIKey | GLVMTITYOKYZRQ-JSVBYLJXSA-N |
| InChI | InChI=1S/C32H43NO5/c1-18(2)13-16-36-28(3,4)26-24(34)27-32(38-27)23(37-26)12-14-29(5)30(6)19(11-15-31(29,32)35)17-21-20-9-7-8-10-22(20)33-25(21)30/h7-10,13,19,23-24,26-27,33-35H,11-12,14-17H2,1-6H3/t19-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1 |
| SMILES | CC(C)=CCOC(C)(C)[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:66209
chebi:66209
| terpendole J
(2S,3R,3aR,4aS,4bS,6aS,12bS,12cR,14aS)-12b,12c-dimethyl-2-{2-[(3-methylbut-2-en-1-yl)oxy]propan-2-yl}-3,3a,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H,4bH-oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b-diol
|
seed.compound:cpd31180
seedM:cpd31180
kegg.compound:C20545
keggC:C20545
| Terpendole J
|
metacyc.compound:CPD-17197
metacycM:CPD-17197
seed.compound:cpd33780
seedM:cpd33780
| terpendole J
|
keggC:M_C20545
seedM:M_cpd31180
seedM:M_cpd33780
| secondary/obsolete/fantasy identifier
|
