| Properties | Image |
|---|
| MNX_ID | MNXM113786 |
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| reference | chebi:66280 |
| formula | C25H26O12 |
| global charge | 0 |
| mol weight | 518.471 |
| InChIKey | WPEARBZAFBYHRG-XVNBXDOJSA-N |
| InChI | InChI=1S/C25H26O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-3,5-7,9-10,19-20,23,26-30,35H,4,8,11-12H2,(H,33,34)/b7-3+ |
| SMILES | O=C(/C=C/C1=CC(O)=C(O)C=C1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)CCC1=CC(O)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H26O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-3,5-7,9-10,19-20,23,26-30,35H,4,8,11-12H2,(H,33,34)/b7-3+/t19?,20?,23?,25? |
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| SMILES (mnx) | [CH:1]1=[CH:5][C:15]([OH:26])=[C:17]([OH:28])[CH:9]=[C:13]1/[CH:3]=[CH:7]/[C:21](=[O:31])[O:36][CH:20]1[CH2:12][C:25]([C:24](=[O:33])[OH:34])([OH:35])[CH2:11][CH:19]([OH:30])[CH:23]1[O:37][C:22]([CH2:8][CH2:4][C:14]1=[CH:10][C:18]([OH:29])=[C:16]([OH:27])[CH:6]=[CH:2]1)=[O:32] |
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