input word = C00034009

Metabolite InformationStructural formula
Name Kunzeaphlogin E
(+)-Kunzeaphlogin E
Formula C32H42O18
Mw 714.23711454
CAS RN 1109229-50-6
C_ID C00034009 ,
InChIKey IJMKNHUJARMFBZ-JAAXWTJRNA-N
InChICode InChI=1S/C32H42O18/c1-5-10(2)19(36)18-20(37)11(3)28(12(4)29(18)50-31-26(43)24(41)22(39)16(8-33)47-31)49-32-27(44)25(42)23(40)17(48-32)9-46-30(45)13-6-14(34)21(38)15(35)7-13/h6-7,10,16-17,22-27,31-35,37-44H,5,8-9H2,1-4H3/t10-,16-,17-,22-,23-,24+,25+,26-,27-,31+,32+/m1/s1
SMILES CCC(C)C(=O)c1c(O)c(C)c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeKunzea ambigua Ref.
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OrganismKunzea ambigua
ReferenceKasajima,Phytochem.,69,(2008).3080