caldariellaquinol
Chemical Formula:
C39H68O2S2
Molecular Weight:
633.085 Daltons
Monoisotopic Mass:
632.466072807 Daltons
SMILES:
CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(C(SC)=C(O)C1(=C(SC=C1)C(O)=2))
InChI:
1S/C39H68O2S2/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/h26-33,40-41H,9-25H2,1-8H3
InChIKey:
Databases
MetaCyc:
CPD-15301
KEGG:
C20623
PubChem (CID):
71464569
MetaboLights:
MTBLC73388
ChEBI:
73388
RefMet:
Caldariellaquinol
MetaNetX:
MNXM146126