input word = C00050619

Metabolite InformationStructural formula
Name (8R,8'R,9'S)-5-Methoxyclusin
Formula C23H28O8
Mw 432.17841787
CAS RN 84897-03-2
C_ID C00050619
InChIKey ADGULOHTKSMBCP-XAOLAFPDNA-N
InChICode InChI=1S/C23H28O8/c1-25-17-8-14(9-18(26-2)21(17)28-4)6-16-15(11-29-23(16)24)5-13-7-19(27-3)22-20(10-13)30-12-31-22/h7-10,15-16,23-24H,5-6,11-12H2,1-4H3/t15-,16+,23-/m0/s1
SMILES COc1cc(C[C@@H]2[C@@H](Cc3cc(OC)c4c(c3)OCO4)CO[C@@H]2O)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper cubeba Ref.
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OrganismPiper cubeba
ReferenceUsia, et al., Journal of Natural Products, 68, (2005), 64