input word = C00033320

Metabolite InformationStructural formula
Name Plectranthol B
(-)-Plectranthol B
Formula C32H40O7
Mw 536.27740363
CAS RN 372965-74-7
C_ID C00033320 ,
InChIKey QIRPXSKEFCGQDR-QHGSCBIONA-N
InChICode InChI=1S/C32H40O7/c1-18(2)14-26(35)39-29-22(19(3)4)15-20-9-11-25-31(5,12-7-13-32(25,6)27(20)28(29)36)17-38-30(37)21-8-10-23(33)24(34)16-21/h8,10,14-16,19,25,33-34,36H,7,9,11-13,17H2,1-6H3/t25-,31+,32-/m0/s1
SMILES c12c(CC[C@@H]3[C@@]1(CCC[C@@]3(COC(=O)c1ccc(c(c1)O)O)C)C)cc(c(c2O)OC(=O)C=C(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePlectranthus nummularius BRIQ Ref.
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