tephrocandidin B

Properties Image MNX_ID MNXM109197 reference chebi:67344 formula C21H22O6 global charge 0 mol weight 370.401 InChIKey UQJDHMKAJSKDGS-JJEJIETFSA-N InChI InChI=1S/C21H22O6/c1-21(2,25)9-8-14-15(23)10-18(26-3)19-16(24)11-17(27-20(14)19)12-4-6-13(22)7-5-12/h4-10,17,22-23,25H,11H2,1-3H3/b9-8-/t17-/m0/s1 SMILES COC1=C2C(=O)C[C@@H](C3=CC=C(O)C=C3)OC2=C(/C=C\C(C)(C)O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C21H22O6/c1-21(2,25)9-8-14-15(23)10-18(26-3)19-16(24)11-17(27-20(14)19)12-4-6-13(22)7-5-12/h4-10,17,22-23,25H,11H2,1-3H3/b9-8-/t17-/m0/s1 SMILES (mnx) [CH3:1][C:21]([CH3:2])(/[CH:9]=[CH:8]\[C:14]1=[C:20]2[C:19](=[C:18]([O:26][CH3:3])[CH:10]=[C:15]1[OH:23])[C:16](=[O:24])[CH2:11][C@@H:17]([C:12]1=[CH:5][CH:7]=[C:13]([OH:22])[CH:6]=[CH:4]1)[O:27]2)[OH:25]

Parent-child relations graph

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