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caldariellaquinone

Properties

Image

Occurences in reactions

MNX_ID

MNXM10865

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

formula

C₃₉H₆₆O₂S₂

charge

mass

630.45042

reference

chebi:73387

InChIKey

GHRWXPXOBGRSHG-UHFFFAOYSA-N

InChI

InChI=1S/C39H66O2S2/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-37(41)39-35(26-27-43-39)36(40)38(34)42-8/h26-33H,9-25H2,1-8H3

SMILES

CSC1=C(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2sccc2C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73387 chebi:73387	caldariellaquinone 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-methylthiobenzo[b]thiophen-4,7-quinone
kegg.compound:C20624 keggC:C20624	Caldariellaquinone
metacyc.compound:CPD-9612 metacycM:CPD-9612	caldariellaquinone 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione
seed.compound:cpd25750 seedM:cpd25750	caldariellaquinone 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione Caldariellaquinone
keggC:M_C20624 seedM:M_cpd25750	secondary/obsolete/fantasy identifier