| Properties | Image |
| MNX_ID | MNXM35943 |
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| reference | lipidmapsM:LMPK12080018 |
| formula | C21H22O5 |
| global charge | 0 |
| mol weight | 354.402 |
| InChIKey | SBQBKTSYEKPBJF-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H22O5/c1-21(2)9-8-15-17(26-21)7-4-12-10-13(11-25-19(12)15)14-5-6-16(22)20(24-3)18(14)23/h4-9,13,22-23H,10-11H2,1-3H3 |
| SMILES | COC1=C(O)C(C2COC3=C4C=CC(C)(C)OC4=CC=C3C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C21H22O5/c1-21(2)9-8-15-17(26-21)7-4-12-10-13(11-25-19(12)15)14-5-6-16(22)20(24-3)18(14)23/h4-9,13,22-23H,10-11H2,1-3H3/t13? |
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| SMILES (mnx) | [CH3:1][C:21]1([CH3:2])[CH:9]=[CH:8][C:15]2=[C:17]([CH:7]=[CH:4][C:12]3=[C:19]2[O:25][CH2:11][CH:13]([C:14]2=[C:18]([OH:23])[C:20]([O:24][CH3:3])=[C:16]([OH:22])[CH:6]=[CH:5]2)[CH2:10]3)[O:26]1 |
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