Annoglabasin B

Properties Image MNX_ID MNXM119199 reference chebi:174849 formula C22H34O4 global charge 0 mol weight 362.51 InChIKey ZKXLEDOCSSUHKY-QCYROEMPSA-N InChI InChI=1S/C22H34O4/c1-14(23)26-13-20(2)8-4-9-21(3)17(20)7-10-22-11-15(5-6-18(21)22)16(12-22)19(24)25/h15-18H,4-13H2,1-3H3,(H,24,25)/t15-,16+,17?,18?,20+,21-,22+/m1/s1 SMILES CC(=O)OC[C@]1(C)CCC[C@]2(C)C1CC[C@@]13C[C@@H](CCC12)[C@@H](C(=O)O)C3 MNX internals InChI (mnx) InChI=1/C22H34O4/c1-14(23)26-13-20(2)8-4-9-21(3)17(20)7-10-22-11-15(5-6-18(21)22)16(12-22)19(24)25/h15-18H,4-13H2,1-3H3,(H,24,25)/t15-,16+,17?,18?,20+,21-,22+/m1/s1 SMILES (mnx) [CH3:1][C:14](=[O:23])[O:26][CH2:13][C@:20]1([CH3:2])[CH2:8][CH2:4][CH2:9][C@:21]2([CH3:3])[CH:17]1[CH2:7][CH2:10][C@@:22]13[CH2:11][C@@H:15]([CH2:5][CH2:6][CH:18]21)[C@@H:16]([C:19](=[O:24])[OH:25])[CH2:12]3

Parent-child relations graph

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