| Properties | Image |
|---|
| MNX_ID | MNXM1131261 |
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| reference | lipidmapsM:LMPR0104090003 |
| formula | C21H32O5 |
| global charge | 0 |
| mol weight | 364.482 |
| InChIKey | FHWUOEIJRSLHQQ-CEUQDAQDSA-N |
| InChI | InChI=1S/C21H32O5/c1-12-13-6-7-17-20(2,8-5-9-21(17,3)19(24)25)15(13)11-16(22)14(12)10-18(23)26-4/h12-15,17H,5-11H2,1-4H3,(H,24,25)/t12-,13-,14+,15-,17+,20+,21-/m0/s1 |
| SMILES | COC(=O)C[C@H]1C(=O)C[C@H]2[C@@H](CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(=O)O)[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C21H32O5/c1-12-13-6-7-17-20(2,8-5-9-21(17,3)19(24)25)15(13)11-16(22)14(12)10-18(23)26-4/h12-15,17H,5-11H2,1-4H3,(H,24,25)/t12-,13-,14+,15-,17+,20+,21-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:12]1[C@@H:13]2[CH2:6][CH2:7][C@@H:17]3[C@:20]([CH3:2])([CH2:8][CH2:5][CH2:9][C@:21]3([CH3:3])[C:19](=[O:24])[OH:25])[C@H:15]2[CH2:11][C:16](=[O:22])[C@@H:14]1[CH2:10][C:18](=[O:23])[O:26][CH3:4] |
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