| Properties | Image |
|---|
| MNX_ID | MNXM24017 |
 |
| reference | lipidmapsM:LMPK12010108 |
| formula | C27H31O16 |
| global charge | 1 |
| mol weight | 611.529 |
| InChIKey | SXYMMDGPXYVCER-BMMYDVPJSA-O |
| InChI | InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19+,20-,21+,22+,23-,25-,26+,27-/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=C(C4=CC=C(O)C(O)=C4)[O+]=C4C=C(O)C=C(O)C4=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/t17-,18-,19+,20-,21+,22+,23-,25-,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:12]([OH:31])=[C:14]([O-:33])[CH:3]=[C:9]1[C:24]1=[O+:39][C:15]2=[CH:5][C:10]([OH:30])=[CH:4][C:13]([OH:32])=[C:11]2[CH:6]=[C:16]1[O:40][C@H:27]1[C@H:25]([O:43][C@H:26]2[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@@H:19]([OH:34])[C@@H:17]([CH2:7][OH:28])[O:41]2)[C@@H:22]([OH:37])[C@H:20]([OH:35])[C@@H:18]([CH2:8][OH:29])[O:42]1 |
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