input word = C00049347

Metabolite InformationStructural formula
Name 28-Deacetylbelamcandal
Formula C30H46O5
Mw 486.33452458
CAS RN 138521-96-7
C_ID C00049347 ,
InChIKey XVFORSWJIMCHND-DLRPFKSTNA-N
InChICode InChI=1S/C30H46O5/c1-21(2)9-6-10-22(3)11-7-12-24(20-33)26-15-17-30(28(26)34)27(13-8-18-31)25(23(4)19-32)14-16-29(30,5)35/h7,9,11-12,19,26-28,31,33-35H,3,6,8,10,13-18,20H2,1-2,4-5H3/b11-7+,24-12-,25-23-/t26-,27+,28+,29-,30-/m0/s1
SMILES C1C[C@@]([C@]2([C@@H](/C/1=C(\C=O)/C)CCCO)CC[C@H]([C@H]2O)/C(=C\C=C\C(=C)CCC=C(C)C)/CO)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris tectorum Ref.
zoom in