input word = C00044052

Metabolite InformationStructural formula
Name 23-Galloylarjunolic acid
(+)-23-Galloylarjunolic acid
Formula C37H52O9
Mw 640.36113326
CAS RN 212264-91-0
C_ID C00044052 ,
InChIKey LXTNFTYLTNCGNG-PIIMGDHFNA-N
InChICode InChI=1S/C37H52O9/c1-32(2)11-13-37(31(44)45)14-12-35(5)21(22(37)17-32)7-8-27-33(3)18-25(40)29(42)34(4,26(33)9-10-36(27,35)6)19-46-30(43)20-15-23(38)28(41)24(39)16-20/h7,15-16,22,25-27,29,38-42H,8-14,17-19H2,1-6H3,(H,44,45)/t22-,25-,26-,27-,29+,33+,34+,35-,36-,37+/m1/s1
SMILES C1(CC[C@]2([C@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(C[C@H]([C@@H]([C@]1(COC(=O)c1cc(c(c(c1)O)O)O)C)O)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia macroptera Ref.
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OrganismTerminalia macroptera
ReferenceConrad,Phytochem.,48,(1998),647