| Properties | Image |
|---|
| MNX_ID | MNXM34128 |
 |
| reference | lipidmapsM:LMPK12140321 |
| formula | C25H26O6 |
| global charge | 0 |
| mol weight | 422.477 |
| InChIKey | FFNJMGHENBNOAP-OYKVQYDMSA-N |
| InChI | InChI=1S/C25H26O6/c1-24(2)10-9-15-21(28)20-17(27)12-18(13-5-7-14(26)8-6-13)29-23(20)16(22(15)31-24)11-19-25(3,4)30-19/h5-10,18-19,26,28H,11-12H2,1-4H3/t18-,19?/m0/s1 |
| SMILES | CC1(C)C=CC2=C(O)C3=C(O[C@H](C4=CC=C(O)C=C4)CC3=O)C(CC3OC3(C)C)=C2O1 |
MNX internals
| InChI (mnx) | InChI=1/C25H26O6/c1-24(2)10-9-15-21(28)20-17(27)12-18(13-5-7-14(26)8-6-13)29-23(20)16(22(15)31-24)11-19-25(3,4)30-19/h5-10,18-19,26,28H,11-12H2,1-4H3/t18-,19?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]1([CH3:2])[CH:10]=[CH:9][C:15]2=[C:21]([OH:28])[C:20]3=[C:23]([C:16]([CH2:11][CH:19]4[C:25]([CH3:3])([CH3:4])[O:30]4)=[C:22]2[O:31]1)[O:29][C@H:18]([C:13]1=[CH:6][CH:8]=[C:14]([OH:26])[CH:7]=[CH:5]1)[CH2:12][C:17]3=[O:27] |
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