input word = C00046568

Metabolite InformationStructural formula
Name 1'-epi-Sauchinone
Formula C20H20O6
Mw 356.12598837
CAS RN 281655-25-2
C_ID C00046568 ,
InChIKey GMTJIWUFFXGFHH-DGXHAACNNA-N
InChICode InChI=1S/C20H20O6/c1-9-3-11-13(21)5-17-20(25-8-24-17)19(11)18(10(9)2)12-4-15-16(23-7-22-15)6-14(12)26-20/h4-6,9-11,18-19H,3,7-8H2,1-2H3/t9-,10-,11-,18+,19+,20+/m1/s1
SMILES C1Oc2c(O1)cc1c(c2)[C@H]2[C@H]3[C@@]4(O1)C(=CC(=O)[C@H]3C[C@H]([C@H]2C)C)OCO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaururaceaeSaururus chinensis Ref.
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OrganismSaururus chinensis
ReferenceSung,J.Nat.Prod.,63,(2000),1019