| Properties | Image |
|---|
| MNX_ID | MNXM39325 |
 |
| reference | lipidmapsM:LMPK12160008 |
| formula | C26H26O7 |
| global charge | 0 |
| mol weight | 450.487 |
| InChIKey | GQRNMTDWOFXCTJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H26O7/c1-12(2)6-8-14-17(27)11-18(28)21-23(30)20-16-10-19(31-5)22(29)15(9-7-13(3)4)24(16)32-26(20)33-25(14)21/h6-7,10-11,27-29H,8-9H2,1-5H3 |
| SMILES | COC1=CC2=C(OC3=C2C(=O)C2=C(O3)C(CC=C(C)C)=C(O)C=C2O)C(CC=C(C)C)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C26H26O7/c1-12(2)6-8-14-17(27)11-18(28)21-23(30)20-16-10-19(31-5)22(29)15(9-7-13(3)4)24(16)32-26(20)33-25(14)21/h6-7,10-11,27-29H,8-9H2,1-5H3 |
 |
| SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:6][CH2:8][C:14]1=[C:25]2[C:21](=[C:18]([OH:28])[CH:11]=[C:17]1[OH:27])[C:23](=[O:30])[C:20]1=[C:26]([O:32][C:24]3=[C:15]([CH2:9][CH:7]=[C:13]([CH3:3])[CH3:4])[C:22]([OH:29])=[C:19]([O:31][CH3:5])[CH:10]=[C:16]13)[O:33]2 |
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