input word = C00033319

Metabolite InformationStructural formula
Name Plectranthol A
(-)-Plectranthol A
Formula C27H30O6
Mw 450.20423869
CAS RN 372965-72-5
C_ID C00033319 ,
InChIKey VIWAYXHMGDZRSR-LSFSFQITNA-N
InChICode InChI=1S/C27H30O6/c1-15(2)18-12-16-9-11-27(4)19(22(16)24(31)23(18)30)6-5-10-26(27,3)14-33-25(32)17-7-8-20(28)21(29)13-17/h6-9,11-13,15,28-31H,5,10,14H2,1-4H3/t26-,27+/m1/s1
SMILES c12c(C=C[C@]3(C1=CCC[C@@]3(COC(=O)c1ccc(c(c1)O)O)C)C)cc(c(c2O)O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePlectranthus nummularius BRIQ Ref.
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