input word = C00064314

Metabolite InformationStructural formula
Name Guggulsterol II
Formula C27H46O3
Mw 418.34469533
CAS RN 39025-26-8
C_ID C00064314
InChIKey XSGAQCLMXROKDH-AXOWTQORSA-N
InChICode InChI=1S/C27H46O3/c1-17(2)7-6-12-27(5,30)24-23(29)16-22-20-9-8-18-15-19(28)10-13-25(18,3)21(20)11-14-26(22,24)4/h8,17,19-24,28-30H,6-7,9-16H2,1-5H3/t19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILES CC(C)CCCC(C)(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCommiphora mukul Ref.
zoom in