input word = C00057424

Metabolite InformationStructural formula
Name Sebiferic acid
Formula C30H48O2
Mw 440.36543078
CAS RN 52809-09-3
C_ID C00057424
InChIKey STWHPCOPDBFRNW-PYQRSULMSA-N
InChICode InChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
SMILES C=C(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium sebiferum Ref.
zoom in



OrganismSapium sebiferum
ReferencePradhan, B.P. et al., Indian J. Chem., 1973, 11, 1217