input word = C00039211

Metabolite InformationStructural formula
Name Fibrauretin A
(+)-Fibrauretin A
Formula C20H22O8
Mw 390.13146768
CAS RN 960506-32-5
C_ID C00039211 ,
InChIKey PYRTUYSUPAFERK-ZEDZXGQCNA-N
InChICode InChI=1S/C20H22O8/c1-18-6-10(8-3-4-25-7-8)26-16(22)11(18)9(21)5-19(2)14(18)12-13-15(27-13)20(19,24)17(23)28-12/h3-4,7,9-15,21,24H,5-6H2,1-2H3/t9-,10+,11-,12+,13+,14-,15?,18+,19+,20-/m0/s1
SMILES C1[C@@]2([C@H](C(=O)O[C@H]1c1cocc1)[C@H](C[C@@]1([C@H]2[C@H]2[C@@H]3[C@@H]([C@@]1(C(=O)O2)O)O3)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeFibraurea tinctoria Ref.
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OrganismFibraurea tinctoria
ReferenceSu,J.Nat.Prod.,70,(2007),1930