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CHEBI:202957 - 3',4'-dihydromonoanhydrobacterioruberin

ChEBI IDCHEBI:202957
ChEBI Name3',4'-dihydromonoanhydrobacterioruberin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H76O3
Net Charge0
Average Mass725.155
Monoisotopic Mass724.57945
SMILESCC(C)=CCC(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(CCC(C)(C)O)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C50H76O3/c1-39(2)31-34-46(49(11,12)52)35-32-44(7)29-19-27-42(5)25-17-23-40(3)21-15-16-22-41(4)24-18-26-43(6)28-20-30-45(8)33-36-47(50(13,14)53)37-38-48(9,10)51/h15-31,33,36,46-47,51-53H,32,34-35,37-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,36-33+,40-21+,41-22+,42-25+,43-26+,44-29+,45-30+
InChIKeyVWIPPKPLSGQGGH-QILXTCIPSA-N
Species of MetaboliteComponentSourceComments
Haloferax (ncbitaxon:2251) - DOI (10.1016/0031-9422(95)00975-d)
ChEBI Ontology
Outgoing Relation(s)
3',4'-dihydromonoanhydrobacterioruberin (CHEBI:202957) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-30-(2-hydroxypropan-2-yl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-enyl)tetratriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaene-2,33-diol
Manual XrefsDatabases
78435946ChemSpider