Canescacarpin

Properties Image MNX_ID MNXM45381 reference lipidmapsM:LMPK12070110 formula C20H18O5 global charge 0 mol weight 338.359 InChIKey MIYTVBARXCVVHZ-UIAACRFSSA-N InChI InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19+,20-/m1/s1 SMILES C=C(C)[C@H]1CC2=C(C=C3OC[C@@]4(O)C5=CC=C(O)C=C5O[C@H]4C3=C2)O1 MNX internals InChI (mnx) InChI=1/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19+,20-/m1/s1 SMILES (mnx) [CH2:1]=[C:10]([CH3:2])[C@H:15]1[CH2:6][C:11]2=[C:16]([CH:8]=[C:17]3[C:13](=[CH:5]2)[C@H:19]2[C@@:20]([OH:22])([CH2:9][O:23]3)[C:14]3=[C:18]([CH:7]=[C:12]([OH:21])[CH:3]=[CH:4]3)[O:25]2)[O:24]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0