| Properties | Image |
MNX_ID | MNXM23635 |
 |
reference | lipidmapsM:LMPK12140576 |
formula | C26H28O7 |
global charge | 0 |
mol weight | 452.503 |
InChIKey | GNUVMQAGBJMMEC-UHFFFAOYSA-N |
InChI | InChI=1S/C26H28O7/c1-13(2)6-8-15-23(31-5)16-11-21(26(3,4)30)33-25(16)22-19(29)12-20(32-24(15)22)14-7-9-17(27)18(28)10-14/h6-7,9-11,20,27-28,30H,8,12H2,1-5H3 |
SMILES | COC1=C(CC=C(C)C)C2=C(C(=O)CC(C3=CC=C(O)C(O)=C3)O2)C2=C1C=C(C(C)(C)O)O2 |
MNX internals
InChI (mnx) | InChI=1/C26H28O7/c1-13(2)6-8-15-23(31-5)16-11-21(26(3,4)30)33-25(16)22-19(29)12-20(32-24(15)22)14-7-9-17(27)18(28)10-14/h6-7,9-11,20,27-28,30H,8,12H2,1-5H3/t20? |
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SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:6][CH2:8][C:15]1=[C:24]2[C:22](=[C:25]3[C:16](=[C:23]1[O:31][CH3:5])[CH:11]=[C:21]([C:26]([CH3:3])([CH3:4])[OH:30])[O:33]3)[C:19](=[O:29])[CH2:12][CH:20]([C:14]1=[CH:10][C:18]([OH:28])=[C:17]([OH:27])[CH:9]=[CH:7]1)[O:32]2 |
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