| Properties | Image |
|---|
| MNX_ID | MNXM104712 |
 |
| reference | chebi:65810 |
| formula | C28H34O8 |
| global charge | 0 |
| mol weight | 498.572 |
| InChIKey | LACABBHUBUCHAU-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H34O8/c1-14(2)8-10-28(7)26(34)19(25(33)23(17(6)30)27(28)35)12-18-21(36-11-9-15(3)4)13-20(31)22(16(5)29)24(18)32/h8-9,13,31-32,34-35H,10-12H2,1-7H3 |
| SMILES | CC(=O)C1=C(O)C=C(OCC=C(C)C)C(CC2=C(O)C(C)(CC=C(C)C)C(O)=C(C(C)=O)C2=O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C28H34O8/c1-14(2)8-10-28(7)26(34)19(25(33)23(17(6)30)27(28)35)12-18-21(36-11-9-15(3)4)13-20(31)22(16(5)29)24(18)32/h8-9,13,31-32,34-35H,10-12H2,1-7H3/t28? |
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| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:8][CH2:10][C:28]1([CH3:7])[C:26]([OH:34])=[C:19]([CH2:12][C:18]2=[C:21]([O:36][CH2:11][CH:9]=[C:15]([CH3:3])[CH3:4])[CH:13]=[C:20]([OH:31])[C:22]([C:16]([CH3:5])=[O:29])=[C:24]2[OH:32])[C:25](=[O:33])[C:23]([C:17]([CH3:6])=[O:30])=[C:27]1[OH:35] |
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