2'-hydroxy-2-oxospirilloxanthin

Properties Image MNX_ID MNXM147737 reference chebi:91229 formula C42H58O4 global charge 0 mol weight 626.922 InChIKey UMEYQXNKNUVLNE-YDDLGYPNSA-N InChI InChI=1S/C42H58O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32,39,43H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+ SMILES COC(C)(C)C(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C(O)C(C)(C)OC MNX internals InChI (mnx) InChI=1/C42H58O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32,39,43H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39? SMILES (mnx) [CH3:1][C:33](=[CH:19]\[CH:13]=[CH:14]\[CH:20]=[C:34]([CH3:2])\[CH:22]=[CH:16]\[CH:24]=[C:36]([CH3:4])\[CH:26]=[CH:18]\[CH:28]=[C:38]([CH3:6])\[CH:30]=[CH:32]\[C:40]([C:42]([CH3:9])([CH3:10])[O:46][CH3:12])=[O:44])/[CH:21]=[CH:15]/[CH:23]=[C:35]([CH3:3])/[CH:25]=[CH:17]/[CH:27]=[C:37]([CH3:5])/[CH:29]=[CH:31]/[CH:39]([C:41]([CH3:7])([CH3:8])[O:45][CH3:11])[OH:43]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0