| Properties | Image |
|---|
| MNX_ID | MNXM100786 |
 |
| reference | metacycM:CPD-14657 |
| formula | C19H22O6 |
| global charge | 0 |
| mol weight | 346.379 |
| InChIKey | CDBBMEYPRMUMTR-RZXXLYMMSA-N |
| InChI | InChI=1S/C19H22O6/c1-9-7-12(24-17(9)21)23-8-11-13-15(20)10-5-4-6-19(2,3)14(10)16(13)25-18(11)22/h7-8,12-13,15-16,20H,4-6H2,1-3H3/b11-8+/t12-,13+,15-,16+/m1/s1 |
| SMILES | CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(CCCC4(C)C)[C@@H](O)[C@H]23)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C19H22O6/c1-9-7-12(24-17(9)21)23-8-11-13-15(20)10-5-4-6-19(2,3)14(10)16(13)25-18(11)22/h7-8,12-13,15-16,20H,4-6H2,1-3H3/b11-8+/t12-,13+,15-,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[CH:7][C@H:12]([O:23]/[CH:8]=[C:11]2\[C@H:13]3[C@H:15]([OH:20])[C:10]4=[C:14]([C@H:16]3[O:25][C:18]2=[O:22])[C:19]([CH3:2])([CH3:3])[CH2:6][CH2:4][CH2:5]4)[O:24][C:17]1=[O:21] |
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