input word = C00059606

Metabolite InformationStructural formula
Name 3beta,6alpha,19alpha-Trihydroxyurus-12-en-28-oic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 130289-31-5
C_ID C00059606
InChIKey JPGOJQJBPLCRQP-RLLACWQESA-N
InChICode InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19+,20-,21+,22-,23+,26-,27-,28-,29-,30+/m1/s1
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C2C1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa multiflora Ref.
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