| Properties | Image |
|---|
| MNX_ID | MNXM58696 |
 |
| reference | lipidmapsM:LMPK12111690 |
| formula | C28H24O15 |
| global charge | 0 |
| mol weight | 600.485 |
| InChIKey | STMNAPXMGWBZSF-OJWSHTDTSA-N |
| InChI | InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)25-26(22(36)19-14(31)7-13(30)8-17(19)41-25)43-28-24(38)23(37)21(35)18(42-28)9-40-27(39)11-5-15(32)20(34)16(33)6-11/h1-8,18,21,23-24,28-35,37-38H,9H2/t18-,21+,23+,24-,28+/m1/s1 |
| SMILES | O=C(OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC(O)=C3)[C@H](O)[C@@H](O)[C@H]1O)C1=CC(O)=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H24O15/c29-12-3-1-10(2-4-12)25-26(22(36)19-14(31)7-13(30)8-17(19)41-25)43-28-24(38)23(37)21(35)18(42-28)9-40-27(39)11-5-15(32)20(34)16(33)6-11/h1-8,18,21,23-24,28-35,37-38H,9H2/t18-,21+,23+,24-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:29])=[CH:4][CH:2]=[C:10]1[C:25]1=[C:26]([O:43][C@H:28]2[C@H:24]([OH:38])[C@@H:23]([OH:37])[C@@H:21]([OH:35])[C@@H:18]([CH2:9][O:40][C:27]([C:11]3=[CH:5][C:15]([OH:32])=[C:20]([OH:34])[C:16]([OH:33])=[CH:6]3)=[O:39])[O:42]2)[C:22](=[O:36])[C:19]2=[C:14]([OH:31])[CH:7]=[C:13]([OH:30])[CH:8]=[C:17]2[O:41]1 |
|