input word = C00034796

Metabolite InformationStructural formula
Name Arborenin
Formula C42H68O14
Mw 796.46090688
CAS RN 875897-36-2
C_ID C00034796 ,
InChIKey XIQRJXIDOIFFHI-VREUKLNINA-N
InChICode InChI=1S/C42H68O14/c1-19-10-13-42(37(51)52)15-14-40(6)21(27(42)20(19)2)8-9-26-39(5)16-22(45)34(38(3,4)25(39)11-12-41(26,40)7)56-36-33(31(49)29(47)24(18-44)54-36)55-35-32(50)30(48)28(46)23(17-43)53-35/h10,20-36,43-50H,8-9,11-18H2,1-7H3,(H,51,52)/t20-,21-,22-,23-,24-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,39+,40-,41-,42+/m1/s1
SMILES CC1=CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeCareya arborea Ref.
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