input word = C00049416

Metabolite InformationStructural formula
Name 6-Acetoxycedrodorin
Formula C29H36O10
Mw 544.23084737
CAS RN 247050-83-5
C_ID C00049416 ,
InChIKey QXOZSXGCOJBXTL-UHFFFAOYNA-N
InChICode InChI=1S/C29H36O10/c1-14(30)37-19(24(33)35-6)20-25(2,3)23-16-11-28(39-23)17(27(20,5)21(16)32)7-9-26(4)22(15-8-10-36-13-15)38-18(31)12-29(26,28)34/h8,10,13,16-17,19-20,22-23,34H,7,9,11-12H2,1-6H3/t16-,17-,19+,20+,22-,23-,26-,27-,28+,29+/m0/s1
SMILES [C@@H]12C([C@H]([C@@]3([C@H]4[C@](C[C@H]1C3=O)([C@@]1([C@@](CC4)([C@@H](OC(=O)C1)c1ccoc1)C)O)O2)C)[C@H](C(=O)OC)OC(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCedrela odorata Ref.
zoom in