| Properties | Image |
MNX_ID | MNXM55479 |
 |
reference | lipidmapsM:LMPK12120085 |
formula | C25H24O5 |
global charge | 0 |
mol weight | 404.462 |
InChIKey | JIQHAMDPLDKKBS-FNORWQNLSA-N |
InChI | InChI=1S/C25H24O5/c1-24(2)12-10-18-21(29-24)8-6-17(22(18)28)19(26)7-5-15-13-16-9-11-25(3,4)30-23(16)20(27)14-15/h5-14,27-28H,1-4H3/b7-5+ |
SMILES | CC1(C)C=CC2=C(C=CC(C(=O)/C=C/C3=CC4=C(OC(C)(C)C=C4)C(O)=C3)=C2O)O1 |
MNX internals
InChI (mnx) | InChI=1/C25H24O5/c1-24(2)12-10-18-21(29-24)8-6-17(22(18)28)19(26)7-5-15-13-16-9-11-25(3,4)30-23(16)20(27)14-15/h5-14,27-28H,1-4H3/b7-5+ |
 |
SMILES (mnx) | [CH3:1][C:24]1([CH3:2])[CH:12]=[CH:10][C:18]2=[C:21]([CH:8]=[CH:6][C:17]([C:19](/[CH:7]=[CH:5]/[C:15]3=[CH:14][C:20]([OH:27])=[C:23]4[C:16](=[CH:13]3)[CH:9]=[CH:11][C:25]([CH3:3])([CH3:4])[O:30]4)=[O:26])=[C:22]2[OH:28])[O:29]1 |
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