input word = C00044794

Metabolite InformationStructural formula
Name Halisulfate 10
Formula C26H42O7S
Mw 498.26512443
CAS RN 577704-99-5
C_ID C00044794 ,
InChIKey UZYGEULXQQDPRZ-VJFOXNKXNA-N
InChICode InChI=1S/C26H42O7S/c1-18-11-12-21-22(10-7-14-25(21,2)3)26(18,4)15-13-19(17-32-34(28,29)30)8-6-9-20-16-23(31-5)33-24(20)27/h10,16,18-19,21,23H,6-9,11-15,17H2,1-5H3,(H,28,29,30)/t18-,19+,21-,23-,26-/m0/s1
SMILES [C@@H]1(CC[C@H]2C(=CCCC2(C)C)[C@]1(CC[C@H](COS(=O)(=O)O)CCCC1=C[C@H](OC1=O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDarwinellidaeDarwinella australensis Ref.
zoom in