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=C1C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula jaeschkeana Ref.
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