input word = C00034963

Metabolite InformationStructural formula
Name Tropolactone B
Formula C28H36O8
Mw 500.24101813
CAS RN 913079-20-6
C_ID C00034963 ,
InChIKey DYUKFMAGTDRGEF-KOUSTUPTNA-N
InChICode InChI=1S/C28H36O8/c1-14-11-17-12-19-27(6,36-24(17)15(2)23(31)22(14)25(32)33-8)10-9-18-26(4,5)35-21(30)13-20(28(18,19)7)34-16(3)29/h11,18-20H,9-10,12-13H2,1-8H3/t18-,19+,20+,27-,28-/m0/s1
SMILES COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@@]1(C)CC[C@H]3C(C)(C)OC(=O)C[C@@H](OC(C)=O)[C@]3(C)[C@@H]1C2
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