input word = C00021399

Metabolite InformationStructural formula
Name Ferugin
Formula C22H30O5
Mw 374.20932407
CAS RN 109517-72-8
C_ID C00021399 ,
InChIKey KZSXMCLSPHIQCN-QFKKPBNINA-N
InChICode InChI=1S/C22H30O5/c1-13(2)22(26)10-9-21(4)12-17(24)14(3)11-18(19(21)22)27-20(25)15-5-7-16(23)8-6-15/h5-8,13,17-19,23-24,26H,3,9-12H2,1-2,4H3/t17-,18-,19+,21+,22+/m0/s1
SMILES [C@@]12([C@@H]([C@H](CC(=C)[C@H](C1)O)OC(=O)c1ccc(cc1)O)[C@@](CC2)(C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula jaeschkeana Ref.
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