input word = C00045188

Metabolite InformationStructural formula
Name 6'-Chloroaureol
Formula C21H29ClO2
Mw 348.18560788
CAS RN 147228-70-4
C_ID C00045188 ,
InChIKey WTHNHDFNKOVPBI-UHFFFAOYNA-N
InChICode InChI=1S/C21H29ClO2/c1-13-6-9-17-19(2,3)10-5-11-21(17)20(13,4)12-14-16(24-21)8-7-15(23)18(14)22/h7-8,13,17,23H,5-6,9-12H2,1-4H3/t13-,17-,20-,21-/m0/s1
SMILES c1c(c(c2c(c1)O[C@]13[C@@](C2)([C@H](CC[C@H]1C(CCC3)(C)C)C)C)Cl)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Smenospongia aurea Ref.
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OrganismSmenospongia aurea
ReferenceHu,J.Nat.Prod.,65,(2002),476