input word = C00035215

Metabolite InformationStructural formula
Name 23-Hydroxybetulinic acid
3beta,23-Dihydroxylup-20(29)-en-28-oic acid
Anemosapogenin
Formula C30H48O4
Mw 472.35526002
CAS RN 85999-40-2
C_ID C00035215 ,
InChIKey HXWLKAXCQLXHML-JJWREXPENA-N
InChICode InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24-,26-,27-,28+,29+,30-/m0/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)(CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRosmarinus officinalis L. Ref.
zoom in