| Properties | Image |
|---|
| MNX_ID | MNXM740256 |
 |
| reference | biggM:HC02213 |
| formula | C20H29O5 |
| global charge | -1 |
| mol weight | 349.447 |
| InChIKey | CBOMORHDRONZRN-BNPQBDGKSA-M |
| InChI | InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/p-1/b6-3-,7-4-,13-12?/t15-,16+,17+,19+/m0/s1 |
| SMILES | CC/C=C\C[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12?/t15-,16+,17+,19+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:6]\[CH2:9][C@@H:15]([CH:12]=[CH:13][C@@H:17]1[C@@H:16]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C:18](=[O:22])[CH2:14][C@H:19]1[OH:23])[OH:21] |
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