input word = C00036410

Metabolite InformationStructural formula
Name Pasakbumin C
13beta,21-Dihydroeurycomanone
Formula C20H26O9
Mw 410.15768243
CAS RN 129587-06-0
C_ID C00036410 ,
InChIKey PKICXNXDFYYYGH-DWCSZFIVNA-N
InChICode InChI=1S/C20H26O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,8-9,11-14,16,22-24,26-27H,5-6H2,1-3H3/t8-,9-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1
SMILES C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@]3([C@H]([C@H]([C@@]1(OC4)O)O)C)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeEurycoma harmandiana Ref.
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OrganismEurycoma harmandiana
ReferenceGuo, et al., NPRD, 16, (2005), 88.

Kanchanapoom, et al., Phytochemistry, 57, (2001), 1205