| Properties | Image |
|---|
| MNX_ID | MNXM105935 |
 |
| reference | chebi:66137 |
| formula | C29H46N2O7 |
| global charge | 0 |
| mol weight | 534.694 |
| InChIKey | VWVAAKIWHSCMIW-YHKKGOIFSA-N |
| InChI | InChI=1S/C29H46N2O7/c1-20(13-22(3)14-23(4)16-28(35)36)11-9-7-6-8-10-12-21(2)15-25(32)18-26(33)19-31-27(34)17-24(5)38-29(30)37/h6-8,10,16,21-22,24,26,33H,1,9,11-15,17-19H2,2-5H3,(H2,30,37)(H,31,34)(H,35,36)/b7-6-,10-8+,23-16+ |
| SMILES | C=C(CC/C=C\C=C\CC(C)CC(=O)CC(O)CNC(=O)CC(C)OC(N)=O)CC(C)C/C(C)=C/C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H46N2O7/c1-20(13-22(3)14-23(4)16-28(35)36)11-9-7-6-8-10-12-21(2)15-25(32)18-26(33)19-31-27(34)17-24(5)38-29(30)37/h6-8,10,16,21-22,24,26,33H,1,9,11-15,17-19H2,2-5H3,(H2,30,37)(H,31,34)(H,35,36)/b7-6-,10-8+,23-16+/t21?,22?,24?,26? |
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| SMILES (mnx) | [CH2:1]=[C:20]([CH2:11][CH2:9]/[CH:7]=[CH:6]\[CH:8]=[CH:10]\[CH2:12][CH:21]([CH3:2])[CH2:15][C:25]([CH2:18][CH:26]([CH2:19][N:31]=[C:27]([CH2:17][CH:24]([CH3:5])[O:38][C:29](=[NH:30])[OH:37])[OH:34])[OH:33])=[O:32])[CH2:13][CH:22]([CH3:3])[CH2:14]/[C:23]([CH3:4])=[CH:16]/[C:28](=[O:35])[OH:36] |
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