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 CC(C)C[C@H]1C2=C(OC3[C@H]4[C@H](CC[C@@]5(C)O[C@@H]5CC[C@]31C)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeKunzea ambigua Ref.
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