input word = C00034221

Metabolite InformationStructural formula
Name Scorzonerin
(-)-Scorzonerin
Formula C30H36O11
Mw 572.22576199
CAS RN 944747-21-1
C_ID C00034221 ,
InChIKey BYXHHIFURZUBKJ-VHBCSPHFNA-N
InChICode InChI=1S/C30H36O11/c1-13-10-18(32)22-14(2)11-19(24-15(3)29(37)41-28(24)23(13)22)39-21(33)9-6-16-4-7-17(8-5-16)38-30-27(36)26(35)25(34)20(12-31)40-30/h4-5,7-8,10,15,19-20,23-28,30-31,34-36H,6,9,11-12H2,1-3H3/t15-,19-,20+,23-,24+,25+,26-,27+,28+,30+/m0/s1
SMILES CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Scozonera pseudodivaricata Lipsch. Ref.
zoom in