| Properties | Image |
|---|
| MNX_ID | MNXM60663 |
 |
| reference | lipidmapsM:LMPK12110656 |
| formula | C26H28O15 |
| global charge | 0 |
| mol weight | 580.495 |
| InChIKey | BPZARDBDHVSIDE-AZQDDYIYSA-N |
| InChI | InChI=1S/C26H28O15/c27-7-18-21(34)22(35)24(41-25-23(36)20(33)15(32)8-37-25)26(40-18)38-10-4-13(30)19-14(31)6-16(39-17(19)5-10)9-1-2-11(28)12(29)3-9/h1-6,15,18,20-30,32-36H,7-8H2/t15-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1 |
| SMILES | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C26H28O15/c27-7-18-21(34)22(35)24(41-25-23(36)20(33)15(32)8-37-25)26(40-18)38-10-4-13(30)19-14(31)6-16(39-17(19)5-10)9-1-2-11(28)12(29)3-9/h1-6,15,18,20-30,32-36H,7-8H2/t15-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([OH:28])=[C:12]([OH:29])[CH:3]=[C:9]1[C:16]1=[CH:6][C:14](=[O:31])[C:19]2=[C:13]([OH:30])[CH:4]=[C:10]([O:38][C@H:26]3[C@H:24]([O:41][C@H:25]4[C@H:23]([OH:36])[C@@H:20]([OH:33])[C@H:15]([OH:32])[CH2:8][O:37]4)[C@@H:22]([OH:35])[C@H:21]([OH:34])[C@@H:18]([CH2:7][OH:27])[O:40]3)[CH:5]=[C:17]2[O:39]1 |
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