input word = C00044627

Metabolite InformationStructural formula
Name Chlorovulone I
Formula C21H29ClO4
Mw 380.17543712
CAS RN 100295-81-6
C_ID C00044627 ,
InChIKey CTIZPKYMYVPNGA-RUAUUOLKNA-N
InChICode InChI=1S/C21H29ClO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1
SMILES C1(=C[C@@](/C(=C/C=C\CCCC(=O)OC)/C1=O)(C/C=C\CCCCC)O)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Clavularia viridis Ref.
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