input word = C00043641

Metabolite InformationStructural formula
Name Kunzeagin A
Formula C44H42O22
Mw 922.21677303
CAS RN 693788-98-6
C_ID C00043641 ,
InChIKey HUYKTZUAFRSJII-LZJXDWPMNA-N
InChICode InChI=1S/C44H42O22/c1-12-27(50)18(40-26(28(12)51)33(56)42(39(64-40)16-5-7-20(46)23(49)9-16)66-44-37(60)35(58)30(53)14(3)62-44)10-17-21(47)11-24-25(31(17)54)32(55)41(38(63-24)15-4-6-19(45)22(48)8-15)65-43-36(59)34(57)29(52)13(2)61-43/h4-9,11,13-14,29-30,34-37,43-54,57-60H,10H2,1-3H3/t13-,14-,29-,30-,34+,35+,36+,37+,43-,44+/m0/s1
SMILES Cc1c(O)c(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(=O)c3c2O)c2oc(-c3ccc(O)c(O)c3)c(OC3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeKunzea ambigua Ref.
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