| Properties | Image |
|---|
| MNX_ID | MNXM42103 |
 |
| reference | lipidmapsM:LMPK12120471 |
| formula | C30H28O6 |
| global charge | 0 |
| mol weight | 484.548 |
| InChIKey | ANKYEGIHRFWHIP-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H28O6/c1-36-28-18-27(34)23(30(35)29(28)26(33)14-11-19-7-3-2-4-8-19)17-22-16-20(12-13-25(22)32)15-21-9-5-6-10-24(21)31/h2-10,12-13,16,18,31-32,34-35H,11,14-15,17H2,1H3 |
| SMILES | COC1=C(C(=O)CCC2=CC=CC=C2)C(O)=C(CC2=C(O)C=CC(CC3=CC=CC=C3O)=C2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H28O6/c1-36-28-18-27(34)23(30(35)29(28)26(33)14-11-19-7-3-2-4-8-19)17-22-16-20(12-13-25(22)32)15-21-9-5-6-10-24(21)31/h2-10,12-13,16,18,31-32,34-35H,11,14-15,17H2,1H3 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:28]1=[C:29]([C:26]([CH2:14][CH2:11][C:19]2=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]2)=[O:33])[C:30]([OH:35])=[C:23]([CH2:17][C:22]2=[C:25]([OH:32])[CH:13]=[CH:12][C:20]([CH2:15][C:21]3=[CH:9][CH:5]=[CH:6][CH:10]=[C:24]3[OH:31])=[CH:16]2)[C:27]([OH:34])=[CH:18]1 |
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