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CHEBI:226061 - 3',4'-Epoxymonoanhydrobacterioruberin

ChEBI IDCHEBI:226061
ChEBI Name3',4'-Epoxymonoanhydrobacterioruberin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H74O4
Net Charge0
Average Mass739.138
Monoisotopic Mass738.55871
SMILESCC(C)=CCC(C1OC1/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](CCC(C)(C)O)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C50H74O4/c1-37(2)31-34-45(50(13,14)53)47-46(54-47)43(8)30-20-29-41(6)26-18-24-39(4)22-16-15-21-38(3)23-17-25-40(5)27-19-28-42(7)32-33-44(49(11,12)52)35-36-48(9,10)51/h15-33,44-47,51-53H,34-36H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,29-20+,33-32+,38-21+,39-22+,40-25+,41-26+,42-28+,43-30+/t44-,45?,46?,47?/m1/s1
InChIKeyHKXMBXXNJAICIG-TVOYLSQCSA-N
Species of MetaboliteComponentSourceComments
Halobacterium salinarum (ncbitaxon:2242) - DOI (10.1016/0031-9422(95)00975-d)
ChEBI Ontology
Outgoing Relation(s)
3',4'-Epoxymonoanhydrobacterioruberin (CHEBI:226061) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
(3S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E)-24-[3-(2-hydroxy-2,6-dimethylhept-5-en-3-yl)oxiran-2-yl]-3,7,11,16,20-pentamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-2,6-dimethylheptane-2,6-diol
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