input word = C00003211

Metabolite InformationStructural formula
Name Angustibalin
Formula C17H20O5
Mw 304.13107375
CAS RN 10180-86-6
C_ID C00003211 ,
InChIKey DCNRYQODUSSOKC-OCMUVQOCNA-N
InChICode InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11-,12-,14-,15+,17?/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBalduina angustifolia Ref.
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