input word = C00063704

Metabolite InformationStructural formula
Name 12,13-Dihydroursolic acid
Formula C30H50O3
Mw 458.37599546
CAS RN 120521-95-1
C_ID C00063704
InChIKey USGWNZHHTABDDB-URAODCQDSA-N
InChICode InChI=1S/C30H50O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
SMILES CC1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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