input word = C00011994

Metabolite InformationStructural formula
Name Zinaflorin I
Formula C25H30O8
Mw 458.19406794
CAS RN 57082-45-8
C_ID C00011994 ,
InChIKey XRPGSFNXFHPXAG-WFNDYIJXNA-N
InChICode InChI=1S/C25H30O8/c1-8-12(3)22(27)31-19-17-15(6)24(29)32-20(17)21(33-23(28)13(4)9-2)25(7,16-11-30-16)18(19)14(5)10-26/h8-10,16-21H,5-6,11H2,1-4,7H3/b12-8-,13-9-/t16-,17-,18-,19-,20-,21-,25-/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=CC)[C@H](C(=C)C=O)[C@@](C)([C@@H]1CO1)[C@H]2OC(=O)/C(C)=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia peruviana Ref.
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