caldariellaquinone

Chemical Formula:

C₃₉H₆₆O₂S₂

Molecular Weight:

631.069 Daltons

Monoisotopic Mass:

630.4504227428 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/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

InChIKey:

GHRWXPXOBGRSHG-UHFFFAOYSA-N

Synonyms

6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione

Databases

MetaCyc: CPD-9612

KEGG: C20624

MetaboLights: MTBLC73387

ChEBI: 73387

ChemSpider: 168476

PubChem (CID): 194166

RefMet: Caldariellaquinone

Seed: cpd25750

MetaNetX: MNXM10865