| Properties | Image |
|---|
| MNX_ID | MNXM29977 |
 |
| reference | lipidmapsM:LMPK12111463 |
| formula | C30H34O17 |
| global charge | 0 |
| mol weight | 666.585 |
| InChIKey | LUQOLUANLDJUSM-RMRDBPHASA-N |
| InChI | InChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)44-11-17-21(36)23(38)24(39)29(46-17)47-28-26(42-3)22(37)20-14(32)8-15(45-25(20)27(28)43-4)12-5-6-13(31)16(7-12)41-2/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)/t17-,21-,23+,24-,29+,30?/m1/s1 |
| SMILES | COC1=C(O)C=CC(C2=CC(=O)C3=C(O2)C(OC)=C(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C3O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H34O17/c1-30(40,9-18(33)34)10-19(35)44-11-17-21(36)23(38)24(39)29(46-17)47-28-26(42-3)22(37)20-14(32)8-15(45-25(20)27(28)43-4)12-5-6-13(31)16(7-12)41-2/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)/t17-,21-,23+,24-,29+,30?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:30]([CH2:9][C:18](=[O:33])[OH:34])([CH2:10][C:19](=[O:35])[O:44][CH2:11][C@@H:17]1[C@@H:21]([OH:36])[C@H:23]([OH:38])[C@@H:24]([OH:39])[C@H:29]([O:47][C:28]2=[C:26]([O:42][CH3:3])[C:22]([OH:37])=[C:20]3[C:14](=[O:32])[CH:8]=[C:15]([C:12]4=[CH:7][C:16]([O:41][CH3:2])=[C:13]([OH:31])[CH:6]=[CH:5]4)[O:45][C:25]3=[C:27]2[O:43][CH3:4])[O:46]1)[OH:40] |
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