input word = C00045541

Metabolite InformationStructural formula
Name 28,29-Epoxyplukenetione A
(-)-28,29-Epoxyplukenetione A
Formula C33H40O5
Mw 516.28757439
CAS RN 321126-53-8
C_ID C00045541 ,
InChIKey CVRGNVXISHMROR-UHFFFAOYNA-N
InChICode InChI=1S/C33H40O5/c1-19(2)14-16-31-18-22-23(25-30(7,8)38-25)32(26(31)35,17-15-20(3)4)28(37)33(27(31)36,29(22,5)6)24(34)21-12-10-9-11-13-21/h9-15,22-23,25H,16-18H2,1-8H3/t22-,23-,25+,31+,32-,33+/m0/s1
SMILES CC(C)=CCC12CC3C(C4OC4(C)C)C(CC=C(C)C)(C1=O)C(=O)C(C(=O)c1ccccc1)(C2=O)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeClusia havetiodes var. stenocarpa Ref.
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