| Properties | Image |
| MNX_ID | MNXM1592206 |
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| reference | lipidmapsM:LMST02030346 |
| formula | C21H30O4 |
| global charge | 0 |
| mol weight | 346.467 |
| InChIKey | BXGCPPYCSCLHER-YWFCDVSRSA-N |
| InChI | InChI=1S/C21H30O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-,21+/m0/s1 |
| SMILES | CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C21H30O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-,21+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:11]([C@H:15]1[CH2:9][C@@H:16]([OH:24])[C@H:18]2[C@@H:14]3[CH2:5][CH2:4][C:12]4=[CH:8][C:13](=[O:23])[CH2:6][CH2:7][C@:20]4([CH3:2])[C@H:19]3[C@H:17]([OH:25])[CH2:10][C@:21]12[CH3:3])=[O:22] |
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