| Properties | Image |
|---|
| MNX_ID | MNXM1368198 |
 |
| reference | seedM:cpd31136 |
| formula | C26H28O15 |
| global charge | 0 |
| mol weight | 580.495 |
| InChIKey | IRWUWOCLRCYSSC-AOBOYTTNSA-N |
| InChI | InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-29,31-36H,7-8H2/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1 |
| SMILES | O=C1C=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C=C12 |
MNX internals
| InChI (mnx) | InChI=1/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-29,31-36H,7-8H2/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:12]([OH:29])=[C:14]([OH:31])[CH:3]=[C:9]1[C:23]1=[C:17]([O:39][C@H:26]2[C@H:24]([O:41][C@H:25]3[C@H:22]([OH:36])[C@@H:19]([OH:33])[C@H:15]([OH:32])[CH2:8][O:37]3)[C@@H:21]([OH:35])[C@H:20]([OH:34])[C@@H:18]([CH2:7][OH:27])[O:40]2)[CH:6]=[C:11]2[C:13](=[O:30])[CH:4]=[C:10]([OH:28])[CH:5]=[C:16]2[O:38]1 |
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