input word = C00050631

Metabolite InformationStructural formula
Name 13-Hydroxy-15-oxozoapatlin
Formula C20H26O4
Mw 330.18310932
CAS RN 173962-80-6
C_ID C00050631
InChIKey MXPHXJJQZUPDTN-ONUXBZOUNA-N
InChICode InChI=1S/C20H26O4/c1-12-14(21)18-8-5-13-16(2)6-4-7-20(13,24-15(16)22)17(18,3)9-10-19(12,23)11-18/h13,23H,1,4-11H2,2-3H3/t13-,16-,17+,18+,19+,20+/m1/s1
SMILES C=C1C(=O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4(OC5=O)[C@@]2(C)CC[C@]1(O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Parinari sprucei Ref.
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OrganismParinari sprucei
ReferenceBraca, et al., Planta Med, 70, (2004), 540