15-O-deacetylcalonectrin

Properties Image MNX_ID MNXM164060 reference seedM:cpd34398 formula C17H24O5 global charge 0 mol weight 308.374 InChIKey DFPPNUOWRKIOKO-VUIOFSRNSA-N InChI InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17?/m1/s1 SMILES CC(=O)O[C@@H]1C[C@@]2(C)C3(CO3)[C@@H]1O[C@@H]1C=C(C)CC[C@@]12CO MNX internals InChI (mnx) InChI=1/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17?/m1/s1 SMILES (mnx) [CH3:1][C:10]1=[CH:6][C@@H:13]2[C@:16]([CH2:8][OH:18])([CH2:5][CH2:4]1)[C@@:15]1([CH3:3])[CH2:7][C@@H:12]([O:21][C:11]([CH3:2])=[O:19])[C@H:14]([C:17]13[CH2:9][O:20]3)[O:22]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0