input word = C00041320

Metabolite InformationStructural formula
Name Adociasulfate 4
Formula C36H54O6S
Mw 614.36411019
CAS RN 242459-65-0
C_ID C00041320 ,
InChIKey UKEVRRCXKBBEDX-PVVLNYIFNA-N
InChICode InChI=1S/C36H54O6S/c1-24(2)10-8-20-35(6)29(25(3)12-17-33(35)38)18-21-34(5)19-9-11-31-30(34)15-13-26(4)36(31,7)23-27-22-28(14-16-32(27)37)42-43(39,40)41/h10,14,16,22,26,29,33,37-38H,3,8-9,11-13,15,17-21,23H2,1-2,4-7H3,(H,39,40,41)/t26-,29+,33-,34-,35-,36+/m0/s1
SMILES C=C1CC[C@H](O)[C@@](C)(CCC=C(C)C)[C@@H]1CCC1(C)CCCC2=C1CC[C@H](C)[C@@]2(C)Cc1cc(OS(=O)(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona sp. Ref.
zoom in