| Properties | Image |
|---|
| MNX_ID | MNXM1368292 |
 |
| reference | metacycM:CPD-15287 |
| formula | C25H23O14 |
| global charge | -1 |
| mol weight | 547.445 |
| InChIKey | MTZMEPTUCWLNRV-FOQZLENISA-M |
| InChI | InChI=1S/C25H24O14/c26-11-3-1-10(2-4-11)23-17(7-13-14(28)5-12(27)6-16(13)37-23)38-25-22(33)21(32)20(31)18(39-25)9-36-19(30)8-15(29)24(34)35/h1-7,15,18,20-22,25,29,31-33H,8-9H2,(H3-,26,27,28,34,35)/p-1/t15-,18-,20-,21+,22-,25-/m1/s1 |
| SMILES | O=C(C[C@@H](O)C(=O)[O-])OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)[O+]=C3C=C(O)C=C([O-])C3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H24O14/c26-11-3-1-10(2-4-11)23-17(7-13-14(28)5-12(27)6-16(13)37-23)38-25-22(33)21(32)20(31)18(39-25)9-36-19(30)8-15(29)24(34)35/h1-7,15,18,20-22,25,29,31-33H,8-9H2,(H3-,26,27,28,34,35)/t15-,18-,20-,21+,22-,25-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:26])=[CH:4][CH:2]=[C:10]1[C:23]1=[O+:37][C:16]2=[CH:6][C:12]([OH:27])=[CH:5][C:14]([OH:28])=[C:13]2[CH:7]=[C:17]1[O:38][C@H:25]1[C@H:22]([OH:33])[C@@H:21]([OH:32])[C@H:20]([OH:31])[C@@H:18]([CH2:9][O:36][C:19]([CH2:8][C@H:15]([C:24](=[O:34])[O-:35])[OH:29])=[O:30])[O:39]1 |
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