| Properties | Image |
|---|
| MNX_ID | MNXM1370635 |
 |
| reference | chebi:32046 |
| formula | C27H28O12 |
| global charge | 0 |
| mol weight | 544.509 |
| InChIKey | RPAFQXAVFGSQFL-NYJNVLOGSA-N |
| InChI | InChI=1S/C27H28O12/c1-9(28)18-23(34)24(37-3)14-6-12-4-11-5-13(29)7-15(30)19(11)22(33)20(12)26(36)27(14,25(18)35)39-17-8-16(31)21(32)10(2)38-17/h4-5,7,10,14,16-17,21,24,29-34H,6,8H2,1-3H3/t10-,14+,16-,17+,21-,24+,27-/m1/s1 |
| SMILES | CO[C@@H]1C(O)=C(C(C)=O)C(=O)[C@@]2(O[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)C(=O)C3=C(O)C4=C(O)C=C(O)C=C4C=C3C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C27H28O12/c1-9(28)18-23(34)24(37-3)14-6-12-4-11-5-13(29)7-15(30)19(11)22(33)20(12)26(36)27(14,25(18)35)39-17-8-16(31)21(32)10(2)38-17/h4-5,7,10,14,16-17,21,24,29-34H,6,8H2,1-3H3/t10-,14+,16-,17+,21-,24+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]([C:18]1=[C:23]([OH:34])[C@@H:24]([O:37][CH3:3])[C@@H:14]2[CH2:6][C:12]3=[C:20]([C:22]([OH:33])=[C:19]4[C:11](=[CH:4]3)[CH:5]=[C:13]([OH:29])[CH:7]=[C:15]4[OH:30])[C:26](=[O:36])[C@:27]2([O:39][C@H:17]2[CH2:8][C@@H:16]([OH:31])[C@H:21]([OH:32])[C@@H:10]([CH3:2])[O:38]2)[C:25]1=[O:35])=[O:28] |
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