input word = C00012359

Metabolite InformationStructural formula
Name Scandenolide
Formula C17H18O7
Mw 334.10525293
CAS RN 23758-16-9
C_ID C00012359 ,
InChIKey SLIMCFUYVZKJTC-UHFFFAOYNA-N
InChICode InChI=1S/C17H18O7/c1-7-14-11-4-9(16(20)22-11)10(21-8(2)18)5-13-17(3,24-13)6-12(14)23-15(7)19/h4,10-14H,1,5-6H2,2-3H3/t10-,11+,12-,13+,14-,17+/m1/s1
SMILES C12=C[C@@H]([C@@H]3[C@@H](C[C@]4([C@H](C[C@H]1OC(=O)C)O4)C)OC(=O)C3=C)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania scandens Ref.
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