| Properties | Image |
|---|
| MNX_ID | MNXM39899 |
 |
| reference | lipidmapsM:LMPK12140431 |
| formula | C25H28O7 |
| global charge | 0 |
| mol weight | 440.492 |
| InChIKey | ZAGCAZVMJBNNSU-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H28O7/c1-24(2)6-5-12-7-14(15-10-20(29)25(3,4)32-23(15)22(12)31-24)18-11-17(28)21-16(27)8-13(26)9-19(21)30-18/h7-9,18,20,26-27,29H,5-6,10-11H2,1-4H3 |
| SMILES | CC1(C)CCC2=CC(C3CC(=O)C4=C(O)C=C(O)C=C4O3)=C3CC(O)C(C)(C)OC3=C2O1 |
MNX internals
| InChI (mnx) | InChI=1/C25H28O7/c1-24(2)6-5-12-7-14(15-10-20(29)25(3,4)32-23(15)22(12)31-24)18-11-17(28)21-16(27)8-13(26)9-19(21)30-18/h7-9,18,20,26-27,29H,5-6,10-11H2,1-4H3/t18?,20? |
 |
| SMILES (mnx) | [CH3:1][C:24]1([CH3:2])[CH2:6][CH2:5][C:12]2=[CH:7][C:14]([CH:18]3[CH2:11][C:17](=[O:28])[C:21]4=[C:16]([OH:27])[CH:8]=[C:13]([OH:26])[CH:9]=[C:19]4[O:30]3)=[C:15]3[CH2:10][CH:20]([OH:29])[C:25]([CH3:3])([CH3:4])[O:32][C:23]3=[C:22]2[O:31]1 |
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