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parthenolide
MNXM67674 is deprecated and here replaced by MNXM737792
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM737792 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 4 |
in models (compartimentalized) |
0 |
|
formula | C15H20O3 |
charge | 0 |
mass | 248.14124 |
reference | chebi:7939 |
InChIKey | KTEXNACQROZXEV-PVLRGYAZSA-N |
InChI | InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1 |
SMILES | C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@H]21 |
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Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
Identifier | Description |
reactome:R-ALL-3296445 reactomeM:R-ALL-3296445 CHEBI:7939 chebi:7939
| parthenolide (-)-Parthenolide (1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one 4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone Parthenolide
|
seed.compound:cpd34929 seedM:cpd34929
| parthenolide
|
seedM:M_cpd34929
| secondary/obsolete/fantasy identifier
|