| Properties | Image |
|---|
| MNX_ID | MNXM102643 |
 |
| reference | chebi:65392 |
| formula | C27H28O10 |
| global charge | 0 |
| mol weight | 512.511 |
| InChIKey | NVWRUTJMHZBGQX-OEEKBWFQSA-N |
| InChI | InChI=1S/C27H28O10/c1-11(2)8-18(31)36-26-23(33)25(37-27(24(26)34)35-13(4)28)19-14-6-5-7-16(29)20(14)22(32)21-15(19)9-12(3)10-17(21)30/h5-10,19,23-27,29-30,33-34H,1-4H3/t19-,23+,24-,25+,26-,27-/m1/s1 |
| SMILES | CC(=O)O[C@@H]1O[C@@H]([C@@H]2C3=CC=CC(O)=C3C(=O)C3=C2C=C(C)C=C3O)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H28O10/c1-11(2)8-18(31)36-26-23(33)25(37-27(24(26)34)35-13(4)28)19-14-6-5-7-16(29)20(14)22(32)21-15(19)9-12(3)10-17(21)30/h5-10,19,23-27,29-30,33-34H,1-4H3/t19-,23+,24-,25+,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]([CH3:2])=[CH:8][C:18](=[O:31])[O:36][C@@H:26]1[C@@H:23]([OH:33])[C@H:25]([C@@H:19]2[C:14]3=[C:20]([C:16]([OH:29])=[CH:7][CH:5]=[CH:6]3)[C:22](=[O:32])[C:21]3=[C:15]2[CH:9]=[C:12]([CH3:3])[CH:10]=[C:17]3[OH:30])[O:37][C@@H:27]([O:35][C:13]([CH3:4])=[O:28])[C@@H:24]1[OH:34] |
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