input word = C00063665

Metabolite InformationStructural formula
Name 1beta,2beta,3beta,19alpha-Tetrahydroxyurs-12-en-28-oic acid
Formula C30H48O6
Mw 504.34508927
CAS RN 113558-02-4
C_ID C00063665
InChIKey VULLSLYDWNGNKZ-MAAPAEFOSA-N
InChICode InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20-,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLawsonia inermis Ref.
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