| Properties | Image |
|---|
| MNX_ID | MNXM166816 |
 |
| reference | metacycM:Phenolphthiodiolenone |
| formula | C30H49O4*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]CC(=O)/C(C)=C/CCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCC[*]C1=CC=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H54O4/c1-3-32(36)27(2)18-16-17-21-31(35)26-30(34)20-15-13-11-9-7-5-4-6-8-10-12-14-19-28-22-24-29(33)25-23-28/h18,22-25,30-31,33-35H,3-17,19-21,26H2,1-2H3/b27-18+/t30-,31-/m1/s1/i1+1,19+1 |
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| SMILES (mnx) | [13CH3:1][CH2:3][C:32](/[C:27]([CH3:2])=[CH:18]/[CH2:16][CH2:17][CH2:21][C@H:31]([CH2:26][C@@H:30]([CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][13CH2:19][C:28]1=[CH:23][CH:25]=[C:29]([OH:33])[CH:24]=[CH:22]1)[OH:34])[OH:35])=[O:36] |
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