| Properties | Image |
| MNX_ID | MNXM25894 |
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| reference | lipidmapsM:LMPK12140565 |
| formula | C21H22O5 |
| global charge | 0 |
| mol weight | 354.402 |
| InChIKey | PMQBKFKEJGCJIK-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H22O5/c1-12(2)4-9-15-18(25-3)11-19-20(21(15)24)16(23)10-17(26-19)13-5-7-14(22)8-6-13/h4-8,11,17,22,24H,9-10H2,1-3H3 |
| SMILES | COC1=CC2=C(C(=O)CC(C3=CC=C(O)C=C3)O2)C(O)=C1CC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C21H22O5/c1-12(2)4-9-15-18(25-3)11-19-20(21(15)24)16(23)10-17(26-19)13-5-7-14(22)8-6-13/h4-8,11,17,22,24H,9-10H2,1-3H3/t17? |
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| SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:4][CH2:9][C:15]1=[C:18]([O:25][CH3:3])[CH:11]=[C:19]2[C:20](=[C:21]1[OH:24])[C:16](=[O:23])[CH2:10][CH:17]([C:13]1=[CH:6][CH:8]=[C:14]([OH:22])[CH:7]=[CH:5]1)[O:26]2 |
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