tephrocandidin A

Properties Image MNX_ID MNXM109196 reference chebi:67343 formula C21H22O5 global charge 0 mol weight 354.402 InChIKey YSYPNKZOQYHUSV-IBSYWUHOSA-N InChI InChI=1S/C21H22O5/c1-21(2,24)10-9-14-15(22)11-18(25-3)19-16(23)12-17(26-20(14)19)13-7-5-4-6-8-13/h4-11,17,22,24H,12H2,1-3H3/b10-9-/t17-/m0/s1 SMILES COC1=C2C(=O)C[C@@H](C3=CC=CC=C3)OC2=C(/C=C\C(C)(C)O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C21H22O5/c1-21(2,24)10-9-14-15(22)11-18(25-3)19-16(23)12-17(26-20(14)19)13-7-5-4-6-8-13/h4-11,17,22,24H,12H2,1-3H3/b10-9-/t17-/m0/s1 SMILES (mnx) [CH3:1][C:21]([CH3:2])(/[CH:10]=[CH:9]\[C:14]1=[C:20]2[C:19](=[C:18]([O:25][CH3:3])[CH:11]=[C:15]1[OH:22])[C:16](=[O:23])[CH2:12][C@@H:17]([C:13]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[O:26]2)[OH:24]

Parent-child relations graph

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