input word = C00042179

Metabolite InformationStructural formula
Name 8-Acetylcaespitol
Formula C17H27Br2ClO3
Mw 472.00154824
CAS RN 73410-30-7
C_ID C00042179 ,
InChIKey PVGGMHHFCWKSQT-WSKTVYSJNA-N
InChICode InChI=1S/C17H27Br2ClO3/c1-10(21)22-14-9-12(18)15(2,3)23-17(14,5)11-6-7-16(4,20)13(19)8-11/h11-14H,6-9H2,1-5H3/t11-,12+,13-,14+,16-,17+/m0/s1
SMILES [C@H]1(C[C@H]([C@](OC1(C)C)([C@@H]1C[C@@H]([C@@](CC1)(C)Cl)Br)C)OC(=O)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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