| Properties | Image |
|---|
| MNX_ID | MNXM57135 |
 |
| reference | lipidmapsM:LMPK12111724 |
| formula | C28H30O11 |
| global charge | 0 |
| mol weight | 542.537 |
| InChIKey | ZVEFBUCBFFPLIG-MJTLGMIWSA-N |
| InChI | InChI=1S/C28H30O11/c1-12(2)5-10-17-18(31)11-19(32)20-21(33)27(25(38-26(17)20)15-6-8-16(30)9-7-15)39-28-23(35)22(34)24(13(3)36-28)37-14(4)29/h5-9,11,13,22-24,28,30-32,34-35H,10H2,1-4H3/t13-,22-,23+,24-,28-/m0/s1 |
| SMILES | CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC(O)=C3CC=C(C)C)O[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C28H30O11/c1-12(2)5-10-17-18(31)11-19(32)20-21(33)27(25(38-26(17)20)15-6-8-16(30)9-7-15)39-28-23(35)22(34)24(13(3)36-28)37-14(4)29/h5-9,11,13,22-24,28,30-32,34-35H,10H2,1-4H3/t13-,22-,23+,24-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:5][CH2:10][C:17]1=[C:26]2[C:20](=[C:19]([OH:32])[CH:11]=[C:18]1[OH:31])[C:21](=[O:33])[C:27]([O:39][C@H:28]1[C@H:23]([OH:35])[C@H:22]([OH:34])[C@@H:24]([O:37][C:14]([CH3:4])=[O:29])[C@H:13]([CH3:3])[O:36]1)=[C:25]([C:15]1=[CH:7][CH:9]=[C:16]([OH:30])[CH:8]=[CH:6]1)[O:38]2 |
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