input word = C00043071

Metabolite InformationStructural formula
Name Territrem B
Formula C29H34O9
Mw 526.22028269
CAS RN 70407-20-4
C_ID C00043071 ,
InChIKey PBXNNDFKPQPJBB-PYSDMOEQNA-N
InChICode InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1
SMILES COc1cc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus terreus Ref.
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OrganismAspergillus terreus
ReferenceLi,J.Nat.Prod.,68,(2005),1243