| Properties | Image |
|---|
| MNX_ID | MNXM23707 |
 |
| reference | lipidmapsM:LMPK12111089 |
| formula | C24H22O13 |
| global charge | 0 |
| mol weight | 518.427 |
| InChIKey | NLRUTPIOMCJQKC-ZRKQWZGSSA-N |
| InChI | InChI=1S/C24H22O13/c25-11-6-12(10-4-2-1-3-5-10)35-13-7-14(19(29)21(31)18(11)13)36-24-23(33)22(32)20(30)15(37-24)9-34-17(28)8-16(26)27/h1-7,15,20,22-24,29-33H,8-9H2,(H,26,27)/t15-,20-,22+,23-,24-/m1/s1 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C=C(C4=CC=CC=C4)O3)C(O)=C2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C24H22O13/c25-11-6-12(10-4-2-1-3-5-10)35-13-7-14(19(29)21(31)18(11)13)36-24-23(33)22(32)20(30)15(37-24)9-34-17(28)8-16(26)27/h1-7,15,20,22-24,29-33H,8-9H2,(H,26,27)/t15-,20-,22+,23-,24-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]([C:12]2=[CH:6][C:11](=[O:25])[C:18]3=[C:13]([CH:7]=[C:14]([O:36][C@H:24]4[C@H:23]([OH:33])[C@@H:22]([OH:32])[C@H:20]([OH:30])[C@@H:15]([CH2:9][O:34][C:17]([CH2:8][C:16](=[O:26])[OH:27])=[O:28])[O:37]4)[C:19]([OH:29])=[C:21]3[OH:31])[O:35]2)[CH:5]=[CH:3]1 |
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