| Properties | Image |
|---|
| MNX_ID | MNXM33287 |
 |
| reference | lipidmapsM:LMPK12060038 |
| formula | C22H18O7 |
| global charge | 0 |
| mol weight | 394.379 |
| InChIKey | ZHVWUSXXZNSTGY-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H18O7/c1-10(2)15-5-12-14(28-15)4-3-11-20(12)29-19-8-25-16-7-18-17(26-9-27-18)6-13(16)22(19,24)21(11)23/h3-4,6-7,15,19,24H,1,5,8-9H2,2H3 |
| SMILES | C=C(C)C1CC2=C(C=CC3=C2OC2COC4=C(C=C5OCOC5=C4)C2(O)C3=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C22H18O7/c1-10(2)15-5-12-14(28-15)4-3-11-20(12)29-19-8-25-16-7-18-17(26-9-27-18)6-13(16)22(19,24)21(11)23/h3-4,6-7,15,19,24H,1,5,8-9H2,2H3/t15?,19?,22? |
 |
| SMILES (mnx) | [CH2:1]=[C:10]([CH3:2])[CH:15]1[CH2:5][C:12]2=[C:14]([CH:4]=[CH:3][C:11]3=[C:20]2[O:29][CH:19]2[CH2:8][O:25][C:16]4=[CH:7][C:18]5=[C:17]([CH:6]=[C:13]4[C:22]2([OH:24])[C:21]3=[O:23])[O:26][CH2:9][O:27]5)[O:28]1 |
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