input word = C00003301

Metabolite InformationStructural formula
Name Hydroxyvernolide
Formula C19H22O8
Mw 378.13146768
CAS RN 27470-84-4
C_ID C00003301 ,
InChIKey VPZCNCFYAPSUAL-NRDGFBLINA-N
InChICode InChI=1S/C19H22O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,12-15,18,20,23H,1-4,6-8H2/b11-5-/t12-,13-,14+,15-,18+,19?/m0/s1
SMILES C1(=C)[C@H]2[C@@H](OC1=O)/C=C/1\CO[C@H]([C@]3([C@@H](CC1)O3)C[C@@H]2OC(=O)C(=C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia amygdalina Ref.
PlantaeAsteraceaeVernonia colorata Ref.
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