| Properties | Image |
|---|
| MNX_ID | MNXM166383 |
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| reference | biggM:CE6452 |
| formula | C22H31O5 |
| global charge | -1 |
| mol weight | 375.485 |
| InChIKey | RIVCEGQLJFEWTQ-UNKNXARJSA-M |
| InChI | InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-20,23-24H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/p-1/b4-3-,7-6-,10-9?,14-12?/t17-,18-,19+,20?/m1/s1 |
| SMILES | CC/C=C\C/C=C\CC=CC[C@H]1C(O)CC(=O)[C@H]1C=C[C@@H](O)CCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-20,23-24H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9?,14-12?/t17-,18-,19+,20?/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8][CH:9]=[CH:10][CH2:11][C@@H:18]1[C@H:19]([CH:14]=[CH:12][C@H:17]([CH2:13][CH2:15][C:22](=[O:26])[OH:27])[OH:23])[C:21](=[O:25])[CH2:16][CH:20]1[OH:24] |
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