| Properties | Image |
| MNX_ID | MNXM25099 |
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| reference | lipidmapsM:LMPK12140267 |
| formula | C20H20O5 |
| global charge | 0 |
| mol weight | 340.375 |
| InChIKey | MNHSEANWZYLOHY-SBNLOKMTSA-N |
| InChI | InChI=1S/C20H20O5/c1-10-20(2,3)18-16(24-10)9-15-17(19(18)23)13(22)8-14(25-15)11-4-6-12(21)7-5-11/h4-7,9-10,14,21,23H,8H2,1-3H3/t10?,14-/m0/s1 |
| SMILES | CC1OC2=C(C(O)=C3C(=O)C[C@@H](C4=CC=C(O)C=C4)OC3=C2)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C20H20O5/c1-10-20(2,3)18-16(24-10)9-15-17(19(18)23)13(22)8-14(25-15)11-4-6-12(21)7-5-11/h4-7,9-10,14,21,23H,8H2,1-3H3/t10?,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]1[C:20]([CH3:2])([CH3:3])[C:18]2=[C:16]([CH:9]=[C:15]3[C:17](=[C:19]2[OH:23])[C:13](=[O:22])[CH2:8][C@@H:14]([C:11]2=[CH:5][CH:7]=[C:12]([OH:21])[CH:6]=[CH:4]2)[O:25]3)[O:24]1 |
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