| Properties | Image |
|---|
| MNX_ID | MNXM49140 |
 |
| reference | lipidmapsM:LMPK12140322 |
| formula | C25H26O6 |
| global charge | 0 |
| mol weight | 422.477 |
| InChIKey | LZDOHAQXBZGKIA-IJHRGXPZSA-N |
| InChI | InChI=1S/C25H26O6/c1-13(2)18(27)11-17-23-16(9-10-25(3,4)31-23)22(29)21-19(28)12-20(30-24(17)21)14-5-7-15(26)8-6-14/h5-10,18,20,26-27,29H,1,11-12H2,2-4H3/t18?,20-/m0/s1 |
| SMILES | C=C(C)C(O)CC1=C2OC(C)(C)C=CC2=C(O)C2=C1O[C@H](C1=CC=C(O)C=C1)CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C25H26O6/c1-13(2)18(27)11-17-23-16(9-10-25(3,4)31-23)22(29)21-19(28)12-20(30-24(17)21)14-5-7-15(26)8-6-14/h5-10,18,20,26-27,29H,1,11-12H2,2-4H3/t18?,20-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:13]([CH3:2])[CH:18]([CH2:11][C:17]1=[C:23]2[C:16](=[C:22]([OH:29])[C:21]3=[C:24]1[O:30][C@H:20]([C:14]1=[CH:6][CH:8]=[C:15]([OH:26])[CH:7]=[CH:5]1)[CH2:12][C:19]3=[O:28])[CH:9]=[CH:10][C:25]([CH3:3])([CH3:4])[O:31]2)[OH:27] |
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