| Properties | Image |
|---|
| MNX_ID | MNXM42109 |
 |
| reference | lipidmapsM:LMPK12120086 |
| formula | C25H26O5 |
| global charge | 0 |
| mol weight | 406.478 |
| InChIKey | IPBCKEVUQOQGHF-VMPITWQZSA-N |
| InChI | InChI=1S/C25H26O5/c1-15(2)22(28)14-19-21(27)9-7-18(24(19)29)20(26)8-5-16-6-10-23-17(13-16)11-12-25(3,4)30-23/h5-13,22,27-29H,1,14H2,2-4H3/b8-5+ |
| SMILES | C=C(C)C(O)CC1=C(O)C(C(=O)/C=C/C2=CC=C3OC(C)(C)C=CC3=C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C25H26O5/c1-15(2)22(28)14-19-21(27)9-7-18(24(19)29)20(26)8-5-16-6-10-23-17(13-16)11-12-25(3,4)30-23/h5-13,22,27-29H,1,14H2,2-4H3/b8-5+/t22? |
 |
| SMILES (mnx) | [CH2:1]=[C:15]([CH3:2])[CH:22]([CH2:14][C:19]1=[C:21]([OH:27])[CH:9]=[CH:7][C:18]([C:20](/[CH:8]=[CH:5]/[C:16]2=[CH:13][C:17]3=[C:23]([CH:10]=[CH:6]2)[O:30][C:25]([CH3:3])([CH3:4])[CH:12]=[CH:11]3)=[O:26])=[C:24]1[OH:29])[OH:28] |
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