input word = C00038090

Metabolite InformationStructural formula
Name (1'R,2'S,6'R)-2-Hydroxyisopanduratin A
Formula C25H28O4
Mw 392.19875938
CAS RN 956404-12-9
C_ID C00038090 ,
InChIKey WKJOSDIVVPRKTB-FZCRQULUNA-N
InChICode InChI=1S/C25H28O4/c1-15(2)9-11-19-16(3)10-12-20(23(19)17-7-5-4-6-8-17)25(29)24-21(27)13-18(26)14-22(24)28/h4-10,13-14,19-20,23,26-28H,11-12H2,1-3H3/t19-,20-,23-/m1/s1
SMILES c1c(cc(c(c1O)C(=O)[C@H]1[C@@H]([C@@H](C(=CC1)C)CC=C(C)C)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeBoesenbergia pandurata Ref.
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OrganismBoesenbergia pandurata
ReferenceWin,J.Nat.Prod.,70,(2007),1582