input word = C00035242

Metabolite InformationStructural formula
Name 3-O-Acetylbetulinic acid
Acetylbetulinic acid
(+)-Acetylbetulinic acid
Formula C32H50O4
Mw 498.37091008
CAS RN 10376-50-8
C_ID C00035242 ,
InChIKey ACWNTJJUZAIOLW-XUHXCHGMNA-N
InChICode InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22-,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@](CC2)(CC[C@@H]1C(=C)C)C(=O)O)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeFicus microcarpa Ref.
PlantaeSolanaceaeSolanum nigrum Ref.
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