input word = C00020010

Metabolite InformationStructural formula
Name Praeroside IV
Formula C20H24O9
Mw 408.14203237
CAS RN 117233-34-8
C_ID C00020010 ,
InChIKey BPBRRMGZTUDRDI-FRNLQHPPNA-N
InChICode InChI=1S/C20H24O9/c1-20(2)13(27-19-17(25)16(24)15(23)12(8-21)26-19)7-10-11(29-20)5-3-9-4-6-14(22)28-18(9)10/h3-6,12-13,15-17,19,21,23-25H,7-8H2,1-2H3/t12-,13+,15-,16-,17+,19-/m0/s1
SMILES O([C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)[C@H]1C(Oc2ccc3ccc(=O)oc3c2C1)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica furcijuga KITAGAWA Ref.
PlantaeApiaceaePeucedanum praeruptorum Ref.
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