input word = C00029654

Metabolite InformationStructural formula
Name Agosterol E
Formula C33H52O8
Mw 576.36621864
CAS RN 603113-59-3
C_ID C00029654 ,
InChIKey NWKRMGGGFWXFNQ-MXWXCGPCNA-N
InChICode InChI=1S/C33H52O8/c1-18(2)9-12-26(37)19(3)23-10-11-24-25-17-28(40-21(5)35)29-30(41-22(6)36)27(39-20(4)34)13-14-32(29,8)33(25,38)16-15-31(23,24)7/h17-19,23-24,26-30,37-38H,9-16H2,1-8H3/t19-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)C=C3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@]3(O)[C@@]2(C)CC[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
zoom in



OrganismAcanthodendrilla sp.
ReferenceTsukamoto,J.Nat.Med.,60,(2006),273