| Properties | Image |
|---|
| MNX_ID | MNXM104118 |
 |
| reference | chebi:65688 |
| formula | C28H26O13 |
| global charge | 0 |
| mol weight | 570.503 |
| InChIKey | FDAISTOTWRLZRD-ISIWZGILSA-N |
| InChI | InChI=1S/C28H26O13/c29-10-19-22(34)24(36)26(38)28(41-19)40-17-9-18-20(21(33)14(17)7-11-1-4-13(30)5-2-11)23(35)25(37)27(39-18)12-3-6-15(31)16(32)8-12/h1-6,8-9,19,22,24,26,28-34,36-38H,7,10H2/t19-,22-,24+,26-,28-/m1/s1 |
| SMILES | O=C1C(O)=C(C2=CC=C(O)C(O)=C2)OC2=C1C(O)=C(CC1=CC=C(O)C=C1)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C28H26O13/c29-10-19-22(34)24(36)26(38)28(41-19)40-17-9-18-20(21(33)14(17)7-11-1-4-13(30)5-2-11)23(35)25(37)27(39-18)12-3-6-15(31)16(32)8-12/h1-6,8-9,19,22,24,26,28-34,36-38H,7,10H2/t19-,22-,24+,26-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:13]([OH:30])=[CH:5][CH:2]=[C:11]1[CH2:7][C:14]1=[C:21]([OH:33])[C:20]2=[C:18]([CH:9]=[C:17]1[O:40][C@H:28]1[C@H:26]([OH:38])[C@@H:24]([OH:36])[C@H:22]([OH:34])[C@@H:19]([CH2:10][OH:29])[O:41]1)[O:39][C:27]([C:12]1=[CH:8][C:16]([OH:32])=[C:15]([OH:31])[CH:6]=[CH:3]1)=[C:25]([OH:37])[C:23]2=[O:35] |
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