| Properties | Image |
|---|
| MNX_ID | MNXM25163 |
 |
| reference | lipidmapsM:LMPK12120148 |
| formula | C32H30O12 |
| global charge | 0 |
| mol weight | 606.58 |
| InChIKey | SBEYXFRVWXXGPA-KHVJMIKNSA-N |
| InChI | InChI=1S/C32H30O12/c1-18(33)42-31-30(40)29(39)25(17-41-26(36)16-10-19-5-3-2-4-6-19)44-32(31)43-24-15-13-22(27(37)28(24)38)23(35)14-9-20-7-11-21(34)12-8-20/h2-16,25,29-32,34,37-40H,17H2,1H3/b14-9+,16-10+/t25-,29-,30+,31-,32-/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@H](OC2=CC=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(O)=C2O)O[C@H](COC(=O)/C=C/C2=CC=CC=C2)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H30O12/c1-18(33)42-31-30(40)29(39)25(17-41-26(36)16-10-19-5-3-2-4-6-19)44-32(31)43-24-15-13-22(27(37)28(24)38)23(35)14-9-20-7-11-21(34)12-8-20/h2-16,25,29-32,34,37-40H,17H2,1H3/b14-9+,16-10+/t25-,29-,30+,31-,32-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18](=[O:33])[O:42][C@@H:31]1[C@@H:30]([OH:40])[C@H:29]([OH:39])[C@@H:25]([CH2:17][O:41][C:26](/[CH:16]=[CH:10]/[C:19]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)=[O:36])[O:44][C@H:32]1[O:43][C:24]1=[C:28]([OH:38])[C:27]([OH:37])=[C:22]([C:23](/[CH:14]=[CH:9]/[C:20]2=[CH:8][CH:12]=[C:21]([OH:34])[CH:11]=[CH:7]2)=[O:35])[CH:13]=[CH:15]1 |
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