| Properties | Image |
|---|
| MNX_ID | MNXM114014 |
 |
| reference | chebi:70297 |
| formula | C35H46O8 |
| global charge | 0 |
| mol weight | 594.745 |
| InChIKey | DPDVRLNGFWFYRI-LTGZKZEYSA-N |
| InChI | InChI=1S/C35H46O8/c1-9-11-26(37)28-30(39)23(15-14-20(4)5)29(38)24(31(28)40)18-25-32(41)27(22(7)36)34(43)35(8,33(25)42)17-16-21(6)13-10-12-19(2)3/h12,14,16,38-40,42-43H,9-11,13,15,17-18H2,1-8H3/b21-16+ |
| 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)=C(O)C(CC=C(C)C)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H46O8/c1-9-11-26(37)28-30(39)23(15-14-20(4)5)29(38)24(31(28)40)18-25-32(41)27(22(7)36)34(43)35(8,33(25)42)17-16-21(6)13-10-12-19(2)3/h12,14,16,38-40,42-43H,9-11,13,15,17-18H2,1-8H3/b21-16+/t35? |
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| SMILES (mnx) | [CH3:1][CH2:9][CH2:11][C:26]([C:28]1=[C:30]([OH:39])[C:23]([CH2:15][CH:14]=[C:20]([CH3:4])[CH3:5])=[C:29]([OH:38])[C:24]([CH2:18][C:25]2=[C:33]([OH:42])[C:35]([CH3:8])([CH2:17]/[CH:16]=[C:21](\[CH3:6])[CH2:13][CH2:10][CH:12]=[C:19]([CH3:2])[CH3:3])[C:34]([OH:43])=[C:27]([C:22]([CH3:7])=[O:36])[C:32]2=[O:41])=[C:31]1[OH:40])=[O:37] |
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