input word = C00064377

Metabolite InformationStructural formula
Name Tirucallol
Formula C30H50O
Mw 426.38616622
CAS RN 514-46-5
C_ID C00064377
InChIKey CAHGCLMLTWQZNJ-HGKXYCPESA-N
InChICode InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25-,26-,28+,29-,30+/m0/s1
SMILES CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeNigella sativa Ref.
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