| Properties | Image |
|---|
| MNX_ID | MNXM23470 |
 |
| reference | lipidmapsM:LMPK12120146 |
| formula | C30H28O12 |
| global charge | 0 |
| mol weight | 580.542 |
| InChIKey | XKPBAPHWYIKWSN-SVQBVAIGSA-N |
| InChI | InChI=1S/C30H28O12/c31-15-23-27(38)28(39)29(42-24(35)14-6-17-3-9-19(33)10-4-17)30(41-23)40-22-13-11-20(25(36)26(22)37)21(34)12-5-16-1-7-18(32)8-2-16/h1-14,23,27-33,36-39H,15H2/b12-5+,14-6+/t23-,27-,28+,29-,30-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)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](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H28O12/c31-15-23-27(38)28(39)29(42-24(35)14-6-17-3-9-19(33)10-4-17)30(41-23)40-22-13-11-20(25(36)26(22)37)21(34)12-5-16-1-7-18(32)8-2-16/h1-14,23,27-33,36-39H,15H2/b12-5+,14-6+/t23-,27-,28+,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:18]([OH:32])=[CH:8][CH:2]=[C:16]1/[CH:5]=[CH:12]/[C:21]([C:20]1=[C:25]([OH:36])[C:26]([OH:37])=[C:22]([O:40][C@H:30]2[C@H:29]([O:42][C:24](/[CH:14]=[CH:6]/[C:17]3=[CH:4][CH:10]=[C:19]([OH:33])[CH:9]=[CH:3]3)=[O:35])[C@@H:28]([OH:39])[C@H:27]([OH:38])[C@@H:23]([CH2:15][OH:31])[O:41]2)[CH:13]=[CH:11]1)=[O:34] |
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