input word = C00021216

Metabolite InformationStructural formula
Name Kunzeanone C
Formula C30H46O4
Mw 470.33960996
CAS RN 796845-77-7
C_ID C00021216 ,
InChIKey WXIXIBHMUBGXNO-IVTMUBRTNA-N
InChICode InChI=1S/C30H46O4/c1-16(2)15-18-20-22(31)27(5,6)25(32)28(7,8)23(20)33-24-21-17(26(21,3)4)11-14-30(10)19(34-30)12-13-29(18,24)9/h16-19,21,24H,11-15H2,1-10H3/t17-,18-,19+,21+,24+,29-,30+/m0/s1
SMILES C1(=O)C(C(=O)C2=C(C1(C)C)O[C@H]1[C@]([C@H]2CC(C)C)(CC[C@@H]2[C@@](CC[C@H]3[C@H]1C3(C)C)(O2)C)C)(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