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 C1(=CC[C@]2([C@H]([C@@H]1C)[C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@]1([C@@H](CC2)C([C@H]([C@@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)CO)(C)C)C)C)C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeCareya arborea Ref.
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