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CHEBI:140751 - Rhodoquinone-9

Default Structure
ChEBI IDCHEBI:140751
ChEBI NameRhodoquinone-9
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC53H81NO3
Net Charge0
Average Mass780.235
Monoisotopic Mass779.62165
SMILESCOC1=C(N)C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O
InChIInChI=1S/C53H81NO3/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)51(55)50(54)53(57-12)52(49)56/h21,23,25,27,29,31,33,35,37H,13-20,22,24,26,28,30,32,34,36,38,54H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+
InChIKeyGCQAFBRARRTBAO-NSCWJZNLSA-N
ChEBI Ontology
Outgoing Relation(s)
Rhodoquinone-9 (CHEBI:140751) is a organic molecular entity (CHEBI:50860)