dihydrobisanhydrobacterioruberin

Properties Image MNX_ID MNXM149030 reference chebi:87161 formula C50H74O2 global charge 0 mol weight 707.14 InChIKey DBVNNKGZPLOLDX-VFYNWLBVSA-N InChI InChI=1S/C50H74O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-33,37,47-48,51-52H,34-36,38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/s1 SMILES CC(C)=CC[C@@H](CC/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@H](CC=C(C)C)C(C)(C)O)C(C)(C)O MNX internals InChI (mnx) InChI=1/C50H74O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-33,37,47-48,51-52H,34-36,38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/s1 SMILES (mnx) [CH3:1][C:39]([CH3:2])=[CH:31][CH2:35][C@@H:47](/[CH:37]=[CH:33]/[C:45]([CH3:9])=[CH:29]/[CH:19]=[CH:27]/[C:43]([CH3:7])=[CH:25]/[CH:17]=[CH:23]/[C:41]([CH3:5])=[CH:21]/[CH:15]=[CH:16]/[CH:22]=[C:42]([CH3:6])/[CH:24]=[CH:18]/[CH:26]=[C:44]([CH3:8])/[CH:28]=[CH:20]/[CH:30]=[C:46](\[CH3:10])[CH2:34][CH2:38][C@H:48]([CH2:36][CH:32]=[C:40]([CH3:3])[CH3:4])[C:50]([CH3:13])([CH3:14])[OH:52])[C:49]([CH3:11])([CH3:12])[OH:51]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1