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Oryzalide A
MNXM128901 is deprecated and here replaced by MNXM727861
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM727861 |
 |
| reference | chebi:175093 |
| formula | C19H28O4 |
| global charge | 0 |
| mol weight | 320.429 |
| InChIKey | JEZFFKVMFCDTRK-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H28O4/c1-16(2)11-7-8-19-9-10(18(4)13(19)23-18)5-6-12(19)17(11,3)15(21)22-14(16)20/h10-13,15,21H,5-9H2,1-4H3 |
| SMILES | CC1(C)C(=O)OC(O)C2(C)C1CCC13CC(CCC12)C1(C)OC31 |
MNX internals
| InChI (mnx) | InChI=1/C19H28O4/c1-16(2)11-7-8-19-9-10(18(4)13(19)23-18)5-6-12(19)17(11,3)15(21)22-14(16)20/h10-13,15,21H,5-9H2,1-4H3/t10?,11?,12?,13?,15?,17?,18?,19? |
 |
| SMILES (mnx) | [CH3:1][C:16]1([CH3:2])[CH:11]2[CH2:7][CH2:8][C:19]34[CH2:9][CH:10]([CH2:5][CH2:6][CH:12]3[C:17]2([CH3:3])[CH:15]([OH:21])[O:22][C:14]1=[O:20])[C:18]1([CH3:4])[CH:13]4[O:23]1 |
|
| 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:175093
chebi:175093
JEZFFKVMFCDTRK-UHFFFAOYSA-N
| Oryzalide A
8-hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-one
|
hmdb:HMDB0037591
JEZFFKVMFCDTRK-UHFFFAOYSA-N
| Oryzalide A
8-hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecan-6-one
|
hmdb:HMDB37591
| secondary/obsolete/fantasy identifier
|