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kauralexin B1
MNXM11938 is deprecated and here replaced by MNXM1365608
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1365608 |
 |
| reference | metacycM:CPD-13542 |
| formula | C20H29O2 |
| global charge | -1 |
| mol weight | 301.45 |
| InChIKey | DULGJEIWRQIEDP-YIVKGZRPSA-M |
| InChI | InChI=1S/C20H30O2/c1-18(2)8-4-9-19(3)15(18)7-10-20-11-13(5-6-16(19)20)14(12-20)17(21)22/h12-13,15-16H,4-11H2,1-3H3,(H,21,22)/p-1/t13-,15-,16+,19-,20+/m1/s1 |
| SMILES | CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)[O-])[C@H](CC[C@H]12)C3 |
MNX internals
| InChI (mnx) | InChI=1/C20H30O2/c1-18(2)8-4-9-19(3)15(18)7-10-20-11-13(5-6-16(19)20)14(12-20)17(21)22/h12-13,15-16H,4-11H2,1-3H3,(H,21,22)/t13-,15-,16+,19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1([CH3:2])[CH2:8][CH2:4][CH2:9][C@:19]2([CH3:3])[C@@H:15]1[CH2:7][CH2:10][C@@:20]13[CH2:11][C@@H:13]([CH2:5][CH2:6][C@@H:16]21)[C:14]([C:17](=[O:21])[OH:22])=[CH:12]3 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|