input word = C00009186

Metabolite InformationStructural formula
Name Cinchonanin IIa
Cinchonain-1a-(4beta->8)-epicatechin
Formula C39H32O15
Mw 740.17412036
CAS RN 85081-23-8
C_ID C00009186 ,
InChIKey NWZBNZUABGSPSN-TWRNATJENA-N
InChICode InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34+,35+,36+,37+/m0/s1
SMILES [C@@H]1([C@H]([C@H](Oc2c1c(cc1c2[C@@H](CC(=O)O1)c1ccc(c(c1)O)O)O)c1cc(c(cc1)O)O)O)c1c2O[C@@H]([C@@H](Cc2c(cc1O)O)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeKandelia candel Ref.
PlantaeRubiaceaeCinchona succirubra Ref.
zoom in