input word = C00037965

Metabolite InformationStructural formula
Name Tubacetine
Formula C29H37NO7
Mw 511.25700254
CAS RN 144442-82-0
C_ID C00037965 ,
InChIKey NOVLFFMRABKFQF-UHFFFAOYNA-N
InChICode InChI=1S/C29H37NO7/c1-20(31)35-25(28(3,4)36-21(2)32)15-17-29(5)26(37-29)19-34-24-13-11-22(12-14-24)16-18-30-27(33)23-9-7-6-8-10-23/h6-14,25-26H,15-19H2,1-5H3,(H,30,33)/t25-,26+,29+/m1/s1
SMILES CC(=O)OC(CCC1(C)OC1COc1ccc(CCNC(=O)c2ccccc2)cc1)C(C)(C)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum tuberculatum (Forssk.) Al Juss. Ref.
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OrganismHaplophyllum tuberculatum (Forssk.) Al Juss.
ReferenceAl-Rehaily,Phytochem.,57,(2001),597