input word = C00003216

Metabolite InformationStructural formula
Name Arctolide
Formula C17H20O6
Mw 320.12598837
CAS RN 64390-62-1
C_ID C00003216 ,
InChIKey XRCCPOSHMKZPFI-ZYIBXQAMNA-N
InChICode InChI=1S/C17H20O6/c1-8-11-5-17(20)9(2)12(22-10(3)18)4-14(17)16(7-21-16)6-13(11)23-15(8)19/h11-14,20H,1-2,4-7H2,3H3/t11-,12+,13+,14+,16-,17-/m1/s1
SMILES [C@@H]12[C@@](C[C@H]3[C@H](C[C@@]41OC4)OC(=O)C3=C)(C(=C)[C@H](C2)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctotis grandis Ref.
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