| Properties | Image |
|---|
| MNX_ID | MNXM161787 |
 |
| reference | keggD:D10430 |
| formula | C27H45NO7 |
| global charge | 0 |
| mol weight | 495.657 |
| InChIKey | RHWRWEUCEXUUAV-ZSESPEEFSA-N |
| InChI | InChI=1S/C23H34O5.C4H11NO2/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;6-3-1-5-2-4-7/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);5-7H,1-4H2/t16-,17-,18+,19-,21+;/m0./s1 |
| SMILES | CCCCC[C@H](O)CC[C@@H]1[C@H]2CC3=C(C[C@H]2C[C@H]1O)C(OCC(=O)O)=CC=C3.OCCNCCO |
MNX internals
| InChI (mnx) | InChI=1/C23H34O5.C4H11NO2/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;6-3-1-5-2-4-7/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);5-7H,1-4H2/t16-,17-,18+,19-,21+;/m0./s1 |
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| SMILES (mnx) | [CH2:29]([CH2:31][OH:34])[NH:33][CH2:30][CH2:32][OH:35].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:7][C@@H:17]([CH2:9][CH2:10][C@@H:18]1[C@H:19]2[CH2:11][C:15]3=[C:20]([CH2:12][C@H:16]2[CH2:13][C@H:21]1[OH:25])[C:22]([O:28][CH2:14][C:23](=[O:26])[OH:27])=[CH:8][CH:5]=[CH:6]3)[OH:24] |
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