input word = C00056944

Metabolite InformationStructural formula
Name Scorzoaustriacin
Formula C20H27NO5
Mw 361.18892298
CAS RN 1210346-87-4
C_ID C00056944
InChIKey VJLHQOFHYPUZLL-JBZCPVKMSA-N
InChICode InChI=1S/C20H27NO5/c1-10-3-5-13-15(9-21-8-12-4-6-17(23)25-12)20(24)26-19(13)18-11(2)16(22)7-14(10)18/h12-16,18-19,21-22H,1-9H2/t12?,13-,14-,15-,16-,18-,19?/m0/s1
SMILES C=C1[C@@H]2C3OC(=O)[C@@H](CNCC4CCC(=O)O4)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera austriaca Ref.
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OrganismScorzonera austriaca
ReferenceZhu, Y. et al., J. Nat. Prod., 2010, 73, 237-241 (Scorzoaustriacin, 3-glucoside)