| Properties | Image |
|---|
| MNX_ID | MNXM18313 |
 |
| reference | metacycM:CPD-9745 |
| formula | C26H31O5 |
| global charge | -1 |
| mol weight | 423.529 |
| InChIKey | JIBJRIUIIPXXGN-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H32O5/c1-13(2)8-9-16-15(5)10-11-26(6)21(16)23(29)19-17(12-27)22(28)24(31-7)18(14(3)4)20(19)25(26)30/h8,10,12,14,16,21,28H,9,11H2,1-7H3/p-1 |
| SMILES | COC1=C([O-])C(C=O)=C2C(=O)C3C(CC=C(C)C)C(C)=CCC3(C)C(=O)C2=C1C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C26H32O5/c1-13(2)8-9-16-15(5)10-11-26(6)21(16)23(29)19-17(12-27)22(28)24(31-7)18(14(3)4)20(19)25(26)30/h8,10,12,14,16,21,28H,9,11H2,1-7H3/t16?,21?,26? |
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| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:8][CH2:9][CH:16]1[C:15]([CH3:5])=[CH:10][CH2:11][C:26]2([CH3:6])[CH:21]1[C:23](=[O:29])[C:19]1=[C:17]([CH:12]=[O:27])[C:22]([OH:28])=[C:24]([O:31][CH3:7])[C:18]([CH:14]([CH3:3])[CH3:4])=[C:20]1[C:25]2=[O:30] |
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