| Properties | Image |
|---|
| MNX_ID | MNXM45323 |
 |
| reference | lipidmapsM:LMPK12120293 |
| formula | C35H34O8 |
| global charge | 0 |
| mol weight | 582.649 |
| InChIKey | DHYXVFFHVYUZJU-FCQYSSJYSA-N |
| InChI | InChI=1S/C35H34O8/c1-43-32-21-31(41)33(35(42)34(32)30(40)20-10-23-8-16-27(38)17-9-23)29(24-11-18-28(39)19-12-24)4-2-3-25(36)13-5-22-6-14-26(37)15-7-22/h2,4,6-12,14-21,25,29,36-39,41-42H,3,5,13H2,1H3/b4-2+,20-10+/t25?,29-/m0/s1 |
| SMILES | COC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(O)=C([C@@H](/C=C/CC(O)CCC2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C35H34O8/c1-43-32-21-31(41)33(35(42)34(32)30(40)20-10-23-8-16-27(38)17-9-23)29(24-11-18-28(39)19-12-24)4-2-3-25(36)13-5-22-6-14-26(37)15-7-22/h2,4,6-12,14-21,25,29,36-39,41-42H,3,5,13H2,1H3/b4-2+,20-10+/t25?,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:43][C:32]1=[C:34]([C:30](/[CH:20]=[CH:10]/[C:23]2=[CH:9][CH:17]=[C:27]([OH:38])[CH:16]=[CH:8]2)=[O:40])[C:35]([OH:42])=[C:33]([C@@H:29](/[CH:4]=[CH:2]/[CH2:3][CH:25]([CH2:13][CH2:5][C:22]2=[CH:7][CH:15]=[C:26]([OH:37])[CH:14]=[CH:6]2)[OH:36])[C:24]2=[CH:12][CH:19]=[C:28]([OH:39])[CH:18]=[CH:11]2)[C:31]([OH:41])=[CH:21]1 |
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