input word = C00037069

Metabolite InformationStructural formula
Name Dracophane
Formula C48H48O9
Mw 768.32983313
CAS RN 503541-84-2
C_ID C00037069 ,
InChIKey VLRAAOITKPZYPI-PRRJMPCVNA-N
InChICode InChI=1S/C48H48O9/c1-55-46-25-43(52)40-22-31(46)10-19-37(28-4-13-34(49)14-5-28)41-23-33(47(56-2)26-44(41)53)12-21-39(30-8-17-36(51)18-9-30)42-24-32(48(57-3)27-45(42)54)11-20-38(40)29-6-15-35(50)16-7-29/h4-9,13-18,22-27,37-39,49-54H,10-12,19-21H2,1-3H3/t37-,38-,39-/m1/s1
SMILES C1C[C@@H](c2cc(c(cc2O)OC)CC[C@@H](c2cc(CC[C@@H](c3cc1c(cc3O)OC)c1ccc(cc1)O)c(cc2O)OC)c1ccc(cc1)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDracaenaceaeDracaena cinnabari Balf. Ref.
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OrganismDracaena cinnabari Balf.
ReferenceVesela,Phytochem.,61,(2002),967