input word = C00034007

Metabolite InformationStructural formula
Name Kunzeaphlogin C
(-)-Kunzeaphlogin C
Formula C44H46O26
Mw 990.22773165
CAS RN 1109229-47-1
C_ID C00034007 ,
InChIKey ZMXWSDQGEMYHSD-RACSIWKRNA-N
InChICode InChI=1S/C44H46O26/c1-3-13(2)29(52)28-24(68-44-38(61)35(58)33(56)25(69-44)11-65-41(62)14-4-18(46)30(53)19(47)5-14)10-17(45)27(34(28)57)40-37(60)36(59)39(70-43(64)16-8-22(50)32(55)23(51)9-16)26(67-40)12-66-42(63)15-6-20(48)31(54)21(49)7-15/h4-10,13,25-26,33,35-40,44-51,53-61H,3,11-12H2,1-2H3/t13-,25+,26+,33+,35-,36+,37+,38+,39+,40-,44+/m0/s1
SMILES c1(c(cc(c(c1O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)c1cc(c(c(c1)O)O)O)C(=O)[C@@H](C)CC
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