| Properties | Image |
|---|
| MNX_ID | MNXM51563 |
 |
| reference | lipidmapsM:LMPK12140425 |
| formula | C25H26O6 |
| global charge | 0 |
| mol weight | 422.477 |
| InChIKey | MUADCOGGQPLCBH-FQEVSTJZSA-N |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)22(29)21-19(28)12-20(30-24(16)21)14-6-8-17(26)18(27)11-14/h5-6,8-11,20,26-27,29H,7,12H2,1-4H3/t20-/m0/s1 |
| SMILES | CC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C25H26O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)22(29)21-19(28)12-20(30-24(16)21)14-6-8-17(26)18(27)11-14/h5-6,8-11,20,26-27,29H,7,12H2,1-4H3/t20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:5][CH2:7][C:16]1=[C:23]2[C:15](=[C:22]([OH:29])[C:21]3=[C:24]1[O:30][C@H:20]([C:14]1=[CH:11][C:18]([OH:27])=[C:17]([OH:26])[CH:8]=[CH:6]1)[CH2:12][C:19]3=[O:28])[CH:9]=[CH:10][C:25]([CH3:3])([CH3:4])[O:31]2 |
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