input word = C00040216

Metabolite InformationStructural formula
Name Sarcohydroquinone sulfate B
Formula C41H62O8S2
Mw 746.38861042
CAS RN 144861-50-7
C_ID C00040216 ,
InChIKey XSEWDLLFUPPPPL-PYHSYOTJSA-N
InChICode InChI=1S/C41H62O8S2/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(48-50(42,43)44)29-30-41(39)49-51(45,46)47/h15,17,19,21,23,25,27,29-31H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,42,43,44)(H,45,46,47)/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+
SMILES c1cc(c(cc1OS(=O)(=O)O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sarcotragus spinulosus Ref.
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OrganismSarcotragus spinulosus
ReferenceNakao,J.Nat.Prod.,70,(2007),689