| Properties | Image |
|---|
| MNX_ID | MNXM47165 |
 |
| reference | lipidmapsM:LMPK12050109 |
| formula | C30H36O16 |
| global charge | 0 |
| mol weight | 652.602 |
| InChIKey | XXSWXJGGMRMITA-AKCNTYKUSA-N |
| InChI | InChI=1S/C30H36O16/c1-39-15-5-4-12(6-17(15)40-2)14-11-42-16-8-19(18(41-3)7-13(16)22(14)33)43-30-27(38)28(24(35)21(10-32)45-30)46-29-26(37)25(36)23(34)20(9-31)44-29/h4-8,11,20-21,23-32,34-38H,9-10H2,1-3H3/t20-,21-,23-,24-,25+,26-,27-,28+,29+,30-/m1/s1 |
| SMILES | COC1=C(OC)C=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)=C(OC)C=C3C2=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H36O16/c1-39-15-5-4-12(6-17(15)40-2)14-11-42-16-8-19(18(41-3)7-13(16)22(14)33)43-30-27(38)28(24(35)21(10-32)45-30)46-29-26(37)25(36)23(34)20(9-31)44-29/h4-8,11,20-21,23-32,34-38H,9-10H2,1-3H3/t20-,21-,23-,24-,25+,26-,27-,28+,29+,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:39][C:15]1=[C:17]([O:40][CH3:2])[CH:6]=[C:12]([C:14]2=[CH:11][O:42][C:16]3=[CH:8][C:19]([O:43][C@H:30]4[C@H:27]([OH:38])[C@@H:28]([O:46][C@H:29]5[C@H:26]([OH:37])[C@@H:25]([OH:36])[C@H:23]([OH:34])[C@@H:20]([CH2:9][OH:31])[O:44]5)[C@H:24]([OH:35])[C@@H:21]([CH2:10][OH:32])[O:45]4)=[C:18]([O:41][CH3:3])[CH:7]=[C:13]3[C:22]2=[O:33])[CH:4]=[CH:5]1 |
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