input word = C00021215

Metabolite InformationStructural formula
Name Kunzeanone B
Formula C31H34O6
Mw 502.23553882
CAS RN 796845-76-6
C_ID C00021215 ,
InChIKey FENVPGGUCXCZQI-MQEFSVKANA-N
InChICode InChI=1S/C31H34O6/c1-15(2)13-18-21-24(33)23-19(32)14-20(17-11-9-8-10-12-17)36-26(23)16(3)25(21)37-28-22(18)27(34)30(4,5)29(35)31(28,6)7/h8-12,15,18,20,33H,13-14H2,1-7H3/t18-,20-/m0/s1
SMILES C1(=O)C(C(=O)C2=C(C1(C)C)Oc1c([C@@H]2CC(C)C)c(c2c(c1C)O[C@@H](CC2=O)c1ccccc1)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeKunzea ambigua Ref.
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OrganismKunzea ambigua
ReferenceIto,Tetrahedron,60,(2004),9971