input word = C00040217

Metabolite InformationStructural formula
Name Sarcohydroquinone sulfate C
Formula C46H70O5S
Mw 734.49439607
CAS RN 144861-51-8
C_ID C00040217 ,
InChIKey RLOMLFQLRDXNKE-LQOKPSQISA-N
InChICode InChI=1S/C46H70O5S/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(33-34-46(44)47)51-52(48,49)50/h17,19,21,23,25,27,29,31,33-35,47H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,48,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+
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(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sarcotragus spinulosus Ref.
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