input word = C00023604

Metabolite InformationStructural formula
Name Tubingensin B
(-)-Tubingensine B
Formula C28H35NO
Mw 401.27186475
CAS RN 126663-32-9
C_ID C00023604 ,
InChIKey VQBYLQIQOJUYEJ-RSPVTYRBNA-N
InChICode InChI=1S/C28H35NO/c1-17(2)27-12-11-26(4)18(3)9-10-25(30)28(26,14-13-27)22-15-20-19-7-5-6-8-23(19)29-24(20)16-21(22)27/h5-8,15-18,25,29-30H,9-14H2,1-4H3/t18-,25+,26+,27+,28-/m1/s1
SMILES c1ccc2c(c1)c1c([nH]2)cc2c(c1)[C@@]13[C@@](CC[C@]2(CC3)C(C)C)([C@@H](CC[C@@H]1O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus tubingensis NRRL 4700 Ref.
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