| Properties | Image |
|---|
| MNX_ID | MNXM104117 |
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| reference | chebi:65687 |
| formula | C28H26O12 |
| global charge | 0 |
| mol weight | 554.504 |
| InChIKey | DFSHKSZMUPLVMU-ISIWZGILSA-N |
| InChI | InChI=1S/C28H26O12/c29-11-19-22(33)24(35)26(37)28(40-19)39-17-10-18-20(21(32)16(17)9-12-1-5-14(30)6-2-12)23(34)25(36)27(38-18)13-3-7-15(31)8-4-13/h1-8,10,19,22,24,26,28-33,35-37H,9,11H2/t19-,22-,24+,26-,28-/m1/s1 |
| SMILES | O=C1C(O)=C(C2=CC=C(O)C=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/C28H26O12/c29-11-19-22(33)24(35)26(37)28(40-19)39-17-10-18-20(21(32)16(17)9-12-1-5-14(30)6-2-12)23(34)25(36)27(38-18)13-3-7-15(31)8-4-13/h1-8,10,19,22,24,26,28-33,35-37H,9,11H2/t19-,22-,24+,26-,28-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:5][C:14]([OH:30])=[CH:6][CH:2]=[C:12]1[CH2:9][C:16]1=[C:21]([OH:32])[C:20]2=[C:18]([CH:10]=[C:17]1[O:39][C@H:28]1[C@H:26]([OH:37])[C@@H:24]([OH:35])[C@H:22]([OH:33])[C@@H:19]([CH2:11][OH:29])[O:40]1)[O:38][C:27]([C:13]1=[CH:4][CH:8]=[C:15]([OH:31])[CH:7]=[CH:3]1)=[C:25]([OH:36])[C:23]2=[O:34] |
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