| Properties | Image |
| MNX_ID | MNXM148647 |
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| reference | metacycM:CPD-16903 |
| formula | C19H30O4 |
| global charge | 0 |
| mol weight | 322.445 |
| InChIKey | ZZSLFHQSKMMSCK-GBRHIFDWSA-N |
| InChI | InChI=1S/C19H30O4/c1-11-3-5-17-13(7-11)8-18(21)12(2)16(17)6-4-15-9-14(20)10-19(22)23-15/h8,11-12,14-18,20-21H,3-7,9-10H2,1-2H3/t11-,12-,14-,15-,16+,17+,18-/m1/s1 |
| SMILES | C[C@@H]1CC[C@H]2C(=C[C@@H](O)[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H30O4/c1-11-3-5-17-13(7-11)8-18(21)12(2)16(17)6-4-15-9-14(20)10-19(22)23-15/h8,11-12,14-18,20-21H,3-7,9-10H2,1-2H3/t11-,12-,14-,15-,16+,17+,18-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:11]1[CH2:3][CH2:5][C@H:17]2[C:13](=[CH:8][C@@H:18]([OH:21])[C@H:12]([CH3:2])[C@@H:16]2[CH2:6][CH2:4][C@@H:15]2[CH2:9][C@@H:14]([OH:20])[CH2:10][C:19](=[O:22])[O:23]2)[CH2:7]1 |
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