input word = C00040801

Metabolite InformationStructural formula
Name 20-Oxo-20,21-seco-tingen-21-oic acid
Formula C28H36O5
Mw 452.25627426
CAS RN 220223-74-5
C_ID C00040801 ,
InChIKey GJOZEYAHNFNJCB-QRBYOSPWNA-N
InChICode InChI=1S/C28H36O5/c1-16(29)13-22-25(3,15-23(31)32)9-11-27(5)21-8-7-18-17(2)24(33)20(30)14-19(18)26(21,4)10-12-28(22,27)6/h7-8,14,22,33H,9-13,15H2,1-6H3,(H,31,32)/t22-,25+,26+,27-,28+/m1/s1
SMILES CC(=O)C[C@@H]1[C@](C)(CC(=O)O)CC[C@]2(C)C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeGlyptopetalum sclerocarpum Ref.
zoom in



OrganismGlyptopetalum sclerocarpum
ReferenceSotanaphun,Phytochem.,49,(1998),1749