input word = C00034964

Metabolite InformationStructural formula
Name Tropolactone C
Formula C26H32O6
Mw 440.21988875
CAS RN 913079-21-7
C_ID C00034964 ,
InChIKey IAPFNCDIAZGJJT-UPVQBGHJNA-N
InChICode InChI=1S/C26H32O6/c1-14-12-16-13-18-25(5)10-9-19(27)31-24(3,4)17(25)8-11-26(18,6)32-22(16)15(2)21(28)20(14)23(29)30-7/h9-10,12,17-18H,8,11,13H2,1-7H3/t17-,18-,25-,26-/m0/s1
SMILES c1(c(c(=O)c(c2c(c1)C[C@@H]1[C@@](O2)(CC[C@@H]2[C@@]1(C=CC(=O)OC2(C)C)C)C)C)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus sp. CNK-371 Ref.
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OrganismAspergillus sp. CNK-371
ReferenceCueto,Phytochem.,67,(2006),1826