input word = C00016049

Metabolite InformationStructural formula
Name (+)-Heptelidic acid
Avocettin
Heptelidic acid
Koningic acid
Formula C15H20O5
Mw 280.13107375
CAS RN 57710-57-3
C_ID C00016049 ,
InChIKey JESMSCGUTIEROV-VQMJDYGKNA-N
InChICode InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11+,12-,15-/m1/s1
SMILES [C@H]12[C@H]([C@H](CC[C@]31CO3)C(C)C)C=C(COC2=O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiChaetomiaceaeChaetomium globosum Ref.
FungiDiatrypaceaeAnthostoma avocetta Ref.
FungiHypocreaceaeTrichoderma viride Ref.
--Gliockadium virens Ref.
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