| Properties | Image |
MNX_ID | MNXM26385 |
 |
reference | lipidmapsM:LMPK12100027 |
formula | C25H24O5 |
global charge | 0 |
mol weight | 404.462 |
InChIKey | LCHRCBXGRPWRBG-GJZGRUSLSA-N |
InChI | InChI=1S/C25H24O5/c1-13(2)10-11-17-24-20(18(12-19(26)30-24)16-8-6-5-7-9-16)23(28)21-22(27)14(3)15(4)29-25(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15-/m0/s1 |
SMILES | CC(C)=CCC1=C2O[C@@H](C)[C@H](C)C(=O)C2=C(O)C2=C1OC(=O)C=C2C1=CC=CC=C1 |
MNX internals
InChI (mnx) | InChI=1/C25H24O5/c1-13(2)10-11-17-24-20(18(12-19(26)30-24)16-8-6-5-7-9-16)23(28)21-22(27)14(3)15(4)29-25(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15-/m0/s1 |
 |
SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:10][CH2:11][C:17]1=[C:24]2[C:20](=[C:23]([OH:28])[C:21]3=[C:25]1[O:29][C@@H:15]([CH3:4])[C@H:14]([CH3:3])[C:22]3=[O:27])[C:18]([C:16]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)=[CH:12][C:19](=[O:26])[O:30]2 |
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