input word = C00003336

Metabolite InformationStructural formula
Name Multiradiatin
Formula C20H22O6
Mw 358.14163844
CAS RN 58262-52-5
C_ID C00003336 ,
InChIKey AUJNARNSAAQNAK-VJVUIGFKNA-N
InChICode InChI=1S/C20H22O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15,17-18H,4H2,1-3,5H3/t10-,12+,15+,17-,18-,20-/m0/s1
SMILES C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)C=C(C)C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaileya multiradiata Ref.
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