| Properties | Image |
|---|
| MNX_ID | MNXM1368650 |
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| reference | metacycM:CPD-18218 |
| formula | C22H27NO6 |
| global charge | 0 |
| mol weight | 401.459 |
| InChIKey | WORJTWSOUPGODS-JFKYFUHISA-N |
| InChI | InChI=1S/C22H27NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,19-20,24H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,19-,20?,22?/m1/s1 |
| SMILES | CC1=CC(=O)C2OC1(C)O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1\C(=O)CNC1=O)[C@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C22H27NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,19-20,24H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,19-,20?,22?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11](/[CH:6]=[CH:7]/[C:15](=[C:18]1\[C:17](=[O:26])[CH2:10][N:23]=[C:21]1[OH:27])[OH:24])=[CH:8]\[C@@H:12]([CH3:2])[C@@H:19]1[C@@H:14]([CH3:4])[CH:20]2[C:16](=[O:25])[CH:9]=[C:13]([CH3:3])[C:22]([CH3:5])([O:28]1)[O:29]2 |
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