| Properties | Image |
|---|
| MNX_ID | MNXM30320 |
 |
| reference | lipidmapsM:LMPK12120612 |
| formula | C25H30O4 |
| global charge | 0 |
| mol weight | 394.511 |
| InChIKey | GHISAUFWVUOBIR-RBUKOAKNSA-N |
| InChI | InChI=1S/C25H30O4/c1-15(2)18-11-9-16(3)13-19(18)23-21(27)14-22(28)24(25(23)29)20(26)12-10-17-7-5-4-6-8-17/h4-8,13-15,18-19,27-29H,9-12H2,1-3H3/t18-,19+/m0/s1 |
| SMILES | CC1=C[C@@H](C2=C(O)C=C(O)C(C(=O)CCC3=CC=CC=C3)=C2O)[C@H](C(C)C)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C25H30O4/c1-15(2)18-11-9-16(3)13-19(18)23-21(27)14-22(28)24(25(23)29)20(26)12-10-17-7-5-4-6-8-17/h4-8,13-15,18-19,27-29H,9-12H2,1-3H3/t18-,19+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C@@H:18]1[CH2:11][CH2:9][C:16]([CH3:3])=[CH:13][C@H:19]1[C:23]1=[C:25]([OH:29])[C:24]([C:20]([CH2:12][CH2:10][C:17]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)=[O:26])=[C:22]([OH:28])[CH:14]=[C:21]1[OH:27] |
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