input word = C00049702

Metabolite InformationStructural formula
Name Algoane
(+)-Algoane
Formula C17H27Br2ClO4
Mw 487.99646286
CAS RN 251455-23-9
C_ID C00049702 ,
InChIKey YZHYAKQANFUWDQ-IVPUQMESNA-N
InChICode InChI=1S/C17H27Br2ClO4/c1-9(21)24-13-8-15(4,20)11(19)7-17(13,23)16(5)12(22)6-10(18)14(16,2)3/h10-13,22-23H,6-8H2,1-5H3/t10-,11-,12+,13-,15-,16+,17-/m0/s1
SMILES C1[C@]([C@H](C[C@]([C@H]1OC(=O)C)([C@@]1([C@@H](C[C@@H](C1(C)C)Br)O)C)O)Br)(C)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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OrganismAplysia dactylomela
ReferenceMcPhail,J.Nat.Prod.,62,(1999),1618