input word = C00056266

Metabolite InformationStructural formula
Name Triregeloic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 2205911-84-6
C_ID C00056266
InChIKey LVLYFUJTLOCMPG-HCSWEASWSA-N
InChICode InChI=1S/C30H48O4/c1-25(2)19-9-12-28(5)20-8-11-26(3)14-15-27(4,24(33)34)17-22(26)29(20,6)13-10-21(28)30(19,7)16-18(31)23(25)32/h8,18-19,21-23,31-32H,9-17H2,1-7H3,(H,33,34)/t18-,19+,21+,22?,23+,26+,27-,28+,29-,30+/m1/s1
SMILES CC1(C)[C@@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@]5(C)CC[C@@](C)(C(=O)O)CC54)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
zoom in



OrganismTripterygium regelii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.