| Properties | Image |
|---|
| MNX_ID | MNXM166677 |
 |
| reference | biggM:CE6454 |
| formula | C22H31O5 |
| global charge | -1 |
| mol weight | 375.485 |
| InChIKey | KSUMVDZATHWLCP-ACQZJLAISA-M |
| InChI | InChI=1S/C22H32O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-20,23-24H,2,5,10-13,16H2,1H3,(H,26,27)/p-1/b4-3-,8-7-,9-6?,15-14?/t17-,18+,19-,20?/m0/s1 |
| SMILES | CC/C=C\CC=CC[C@H]1C(O)CC(=O)[C@H]1C=C[C@@H](O)C/C=C\CCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H32O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-20,23-24H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6?,15-14?/t17-,18+,19-,20?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5][CH:6]=[CH:9][CH2:12][C@@H:18]1[C@H:19]([CH:15]=[CH:14][C@H:17]([CH2:11]/[CH:8]=[CH:7]\[CH2:10][CH2:13][C:22](=[O:26])[OH:27])[OH:23])[C:21](=[O:25])[CH2:16][CH:20]1[OH:24] |
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