input word = C00064576

Metabolite InformationStructural formula
Name Lawsowaseem
Formula C39H54O6
Mw 618.39203946
CAS RN 854497-97-5
C_ID C00064576
InChIKey APFPLZLTXJYXMM-NRPIHKFBSA-N
InChICode InChI=1S/C39H54O6/c1-34(2)19-21-39(33(43)44)22-20-37(5)27(28(39)23-34)12-13-30-35(3)17-16-31(41)36(4,29(35)15-18-38(30,37)6)24-45-32(42)14-9-25-7-10-26(40)11-8-25/h7-12,14,28-31,40-41H,13,15-24H2,1-6H3,(H,43,44)/b14-9+/t28-,29+,30+,31-,35-,36+,37+,38+,39-/m0/s1
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(COC(=O)C=Cc6ccc(O)cc6)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLawsonia alba Ref.
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