| Properties | Image |
|---|
| MNX_ID | MNXM46694 |
 |
| reference | lipidmapsM:LMPK12110743 |
| formula | C27H30O15 |
| global charge | 0 |
| mol weight | 594.522 |
| InChIKey | LIRLYQFWSMOJCN-XPRRNYRNSA-N |
| InChI | InChI=1S/C27H30O15/c1-39-13-4-8(2-3-9(13)29)12-5-10(30)15-20(34)16(27-24(38)22(36)19(33)14(6-28)42-27)21(35)17(25(15)41-12)26-23(37)18(32)11(31)7-40-26/h2-5,11,14,18-19,22-24,26-29,31-38H,6-7H2,1H3/t11-,14+,18-,19+,22-,23+,24+,26-,27-/m0/s1 |
| SMILES | COC1=CC(C2=CC(=O)C3=C(O2)C([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C(O)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3O)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O15/c1-39-13-4-8(2-3-9(13)29)12-5-10(30)15-20(34)16(27-24(38)22(36)19(33)14(6-28)42-27)21(35)17(25(15)41-12)26-23(37)18(32)11(31)7-40-26/h2-5,11,14,18-19,22-24,26-29,31-38H,6-7H2,1H3/t11-,14+,18-,19+,22-,23+,24+,26-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:39][C:13]1=[C:9]([OH:29])[CH:3]=[CH:2][C:8]([C:12]2=[CH:5][C:10](=[O:30])[C:15]3=[C:20]([OH:34])[C:16]([C@H:27]4[C@H:24]([OH:38])[C@@H:22]([OH:36])[C@H:19]([OH:33])[C@@H:14]([CH2:6][OH:28])[O:42]4)=[C:21]([OH:35])[C:17]([C@H:26]4[C@H:23]([OH:37])[C@@H:18]([OH:32])[C@@H:11]([OH:31])[CH2:7][O:40]4)=[C:25]3[O:41]2)=[CH:4]1 |
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