input word = C00012631

Metabolite InformationStructural formula
Name (+)-Calonectrin
Calonectrin
Formula C19H26O6
Mw 350.17293856
CAS RN 38818-51-8
C_ID C00012631 ,
InChIKey IGDIDZAQDRAJRB-XTJONEEGNA-N
InChICode InChI=1S/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-14(24-13(3)21)8-17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3/t14-,15-,16-,17-,18-,19-/m1/s1
SMILES C1[C@]2([C@@H](C=C(C1)C)O[C@H]1[C@]3([C@@]2(C[C@H]1OC(=O)C)C)OC3)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeCalonectria nivalis Ref.
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