| Properties | Image |
|---|
| MNX_ID | MNXM28366 |
 |
| reference | lipidmapsM:LMPK12112799 |
| formula | C28H32O15 |
| global charge | 0 |
| mol weight | 608.549 |
| InChIKey | QZICKHFZCFCUSK-HZAIGYPQSA-N |
| InChI | InChI=1S/C28H32O15/c1-37-24-12(29)8-14-16(19(33)26(38-2)23(41-14)11-6-4-3-5-7-11)25(24)43-28-22(36)20(34)18(32)15(42-28)10-40-27-21(35)17(31)13(30)9-39-27/h3-8,13,15,17-18,20-22,27-32,34-36H,9-10H2,1-2H3/t13-,15+,17-,18+,20-,21+,22+,27-,28-/m0/s1 |
| SMILES | COC1=C(O)C=C2OC(C3=CC=CC=C3)=C(OC)C(=O)C2=C1O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H32O15/c1-37-24-12(29)8-14-16(19(33)26(38-2)23(41-14)11-6-4-3-5-7-11)25(24)43-28-22(36)20(34)18(32)15(42-28)10-40-27-21(35)17(31)13(30)9-39-27/h3-8,13,15,17-18,20-22,27-32,34-36H,9-10H2,1-2H3/t13-,15+,17-,18+,20-,21+,22+,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:37][C:24]1=[C:25]([O:43][C@H:28]2[C@H:22]([OH:36])[C@@H:20]([OH:34])[C@H:18]([OH:32])[C@@H:15]([CH2:10][O:40][C@H:27]3[C@H:21]([OH:35])[C@@H:17]([OH:31])[C@@H:13]([OH:30])[CH2:9][O:39]3)[O:42]2)[C:16]2=[C:14]([CH:8]=[C:12]1[OH:29])[O:41][C:23]([C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)=[C:26]([O:38][CH3:2])[C:19]2=[O:33] |
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