input word = C00023911

Metabolite InformationStructural formula
Name Chloronectrin
Formula C25H33ClO6
Mw 464.1965665
CAS RN 38965-84-3
C_ID C00023911 ,
InChIKey JIHNIFVHUVCKQA-BTGGIHGTNA-N
InChICode InChI=1S/C25H33ClO6/c1-13(7-9-18-23(30)19(12-27)15(3)22(26)24(18)31)21(32-17(5)28)11-25(6)14(2)8-10-20(29)16(25)4/h7,12,14,16,21,30-31H,8-11H2,1-6H3/b13-7+/t14-,16+,21+,25+/m1/s1
SMILES c1(c(c(c(c(c1C=O)O)C/C=C(\C)/[C@@H](OC(=O)C)C[C@@]1([C@H](C(=O)CC[C@H]1C)C)C)O)Cl)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeNectria coccinea CMI 120337C Ref.
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OrganismNectria coccinea CMI 120337C
ReferenceAldridge,J.Chem.Soc.,Perkin Trans,1,(1972),2136-2141