input word = C00029762

Metabolite InformationStructural formula
Name 2beta,3beta-Dihydroxyolean-12-en-28-oic acid
2beta-hydroxyoleanolic acid
Augustic acid
2beta-Hydroxyoleanolic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 26707-60-8
C_ID C00029762 ,
InChIKey MDZKJHQSJHYOHJ-YPYAZGBXNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago arabica Ref.
PlantaeFabaceaeMedicago arborea Ref.
PlantaeFabaceaeMedicago hybrida Ref.
PlantaeFabaceaeMedicago polymorpha Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeLabiataePerilla frutescens (L.) Britton var.japonica Hara Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
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OrganismMedicago arabica
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.