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 CCC(C)C(=O)c1c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c([C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H]2O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeKunzea ambigua Ref.
zoom in