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CHEBI:203725 - Rubetaulaflavidin

ChEBI IDCHEBI:203725
ChEBI NameRubetaulaflavidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O3
Net Charge0
Average Mass420.593
Monoisotopic Mass420.26645
SMILESCC(C)=C/C=C/[C@]1(C)CC[C@]2(O)C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)C1
InChIInChI=1S/C28H36O3/c1-18(2)8-7-11-25(4)12-15-28(31)23-10-9-20-19(3)24(30)22(29)16-21(20)27(23,6)14-13-26(28,5)17-25/h7-11,16,30-31H,12-15,17H2,1-6H3/b11-7+/t25-,26+,27+,28+/m1/s1
InChIKeySJEIHHJIJLJHOL-JCHKNTEWSA-N
Species of MetaboliteComponentSourceComments
Russula flavida (ncbitaxon:258983) - DOI (10.1016/0040-4020(95)00012-w)
ChEBI Ontology
Outgoing Relation(s)
Rubetaulaflavidin (CHEBI:203725) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(4bS,6aS,8R,10aR)-2,10a-dihydroxy-1,4b,6a,8-tetramethyl-8-[(1E)-4-methylpenta-1,3-dienyl]-6,7,9,10-tetrahydro-5H-chrysen-3-one
Manual XrefsDatabases
78437048ChemSpider