| Properties | Image |
|---|
| MNX_ID | MNXM129911 |
 |
| reference | metacycM:CPD-16945 |
| formula | C23H35O7 |
| global charge | -1 |
| mol weight | 423.526 |
| InChIKey | TUZYXOIXSAXUGO-PZSHMICQSA-M |
| InChI | InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16+,17-,18+,19-,20-,22-/m0/s1 |
| SMILES | CC[C@H](C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17-,18+,19-,20-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:13]([CH3:2])[C:23](=[O:29])[O:30][C@H:20]1[CH2:11][C@@H:17]([OH:25])[CH:9]=[C:15]2[CH:6]=[CH:5][C@H:14]([CH3:3])[C@H:19]([CH2:8][CH2:7][C@H:16]([CH2:10][C@H:18]([CH2:12][C:21](=[O:27])[OH:28])[OH:26])[OH:24])[C@H:22]21 |
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