| Properties | Image |
|---|
| MNX_ID | MNXM114016 |
 |
| reference | chebi:70299 |
| formula | C35H44O8 |
| global charge | 0 |
| mol weight | 592.729 |
| InChIKey | HEQHKIYIPQMWBL-XSFVSMFZSA-N |
| InChI | InChI=1S/C35H44O8/c1-9-11-25(37)27-28(38)22-15-16-34(6,7)43-31(22)23(29(27)39)18-24-30(40)26(21(5)36)33(42)35(8,32(24)41)17-14-20(4)13-10-12-19(2)3/h12,14-16,38-39,41-42H,9-11,13,17-18H2,1-8H3/b20-14+ |
| SMILES | CCCC(=O)C1=C(O)C(CC2=C(O)C(C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)=C2OC(C)(C)C=CC2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H44O8/c1-9-11-25(37)27-28(38)22-15-16-34(6,7)43-31(22)23(29(27)39)18-24-30(40)26(21(5)36)33(42)35(8,32(24)41)17-14-20(4)13-10-12-19(2)3/h12,14-16,38-39,41-42H,9-11,13,17-18H2,1-8H3/b20-14+/t35? |
 |
| SMILES (mnx) | [CH3:1][CH2:9][CH2:11][C:25]([C:27]1=[C:29]([OH:39])[C:23]([CH2:18][C:24]2=[C:32]([OH:41])[C:35]([CH3:8])([CH2:17]/[CH:14]=[C:20](\[CH3:4])[CH2:13][CH2:10][CH:12]=[C:19]([CH3:2])[CH3:3])[C:33]([OH:42])=[C:26]([C:21]([CH3:5])=[O:36])[C:30]2=[O:40])=[C:31]2[C:22](=[C:28]1[OH:38])[CH:15]=[CH:16][C:34]([CH3:6])([CH3:7])[O:43]2)=[O:37] |
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