| Properties | Image |
|---|
| MNX_ID | MNXM44314 |
 |
| reference | lipidmapsM:LMPK12050223 |
| formula | C27H30O14 |
| global charge | 0 |
| mol weight | 578.523 |
| InChIKey | VGKGODYADVWBQB-NRIIMPDMSA-N |
| InChI | InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)15-8-37-17-7-14(6-16(29)19(17)20(15)30)40-25-23(33)22(32)21(31)18(41-25)9-38-26-24(34)27(35,10-28)11-39-26/h2-8,18,21-26,28-29,31-35H,9-11H2,1H3/t18-,21-,22+,23-,24+,25-,26-,27-/m1/s1 |
| SMILES | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O14/c1-36-13-4-2-12(3-5-13)15-8-37-17-7-14(6-16(29)19(17)20(15)30)40-25-23(33)22(32)21(31)18(41-25)9-38-26-24(34)27(35,10-28)11-39-26/h2-8,18,21-26,28-29,31-35H,9-11H2,1H3/t18-,21-,22+,23-,24+,25-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:13]1=[CH:5][CH:3]=[C:12]([C:15]2=[CH:8][O:37][C:17]3=[CH:7][C:14]([O:40][C@H:25]4[C@H:23]([OH:33])[C@@H:22]([OH:32])[C@H:21]([OH:31])[C@@H:18]([CH2:9][O:38][C@H:26]5[C@H:24]([OH:34])[C@:27]([CH2:10][OH:28])([OH:35])[CH2:11][O:39]5)[O:41]4)=[CH:6][C:16]([OH:29])=[C:19]3[C:20]2=[O:30])[CH:2]=[CH:4]1 |
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