Angelicolide

Properties Image MNX_ID MNXM119184 reference chebi:173263 formula C24H28O4 global charge 0 mol weight 380.484 InChIKey LSDFCPDLBLFHAT-UHFFFAOYSA-N InChI InChI=1S/C24H28O4/c1-3-9-19-20(10-4-2)24(18-14-8-6-12-16(18)22(26)28-24)23(19)17-13-7-5-11-15(17)21(25)27-23/h5-6,11-12,19-20H,3-4,7-10,13-14H2,1-2H3 SMILES CCCC1C(CCC)C2(OC(=O)C3=C2CCC=C3)C12OC(=O)C1=C2CCC=C1 MNX internals InChI (mnx) InChI=1/C24H28O4/c1-3-9-19-20(10-4-2)24(18-14-8-6-12-16(18)22(26)28-24)23(19)17-13-7-5-11-15(17)21(25)27-23/h5-6,11-12,19-20H,3-4,7-10,13-14H2,1-2H3/t19?,20?,23?,24? SMILES (mnx) [CH3:1][CH2:3][CH2:9][CH:19]1[CH:20]([CH2:10][CH2:4][CH3:2])[C:24]2([C:18]3=[C:16]([CH:12]=[CH:6][CH2:8][CH2:14]3)[C:22](=[O:26])[O:28]2)[C:23]12[C:17]1=[C:15]([CH:11]=[CH:5][CH2:7][CH2:13]1)[C:21](=[O:25])[O:27]2

Parent-child relations graph

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