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 C1CCC2=C([C@@]1(CC[C@H]1[C@@]([C@H](CCC1=C)O)(CCC=C(C)C)C)C)CC[C@@H]([C@]2(Cc1c(ccc(c1)OS(=O)(=O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona sp. Ref.
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OrganismHaliclona sp.
ReferenceWest,J.Nat.Prod.,69,(2006),1001