input word = C00064130

Metabolite InformationStructural formula
Name Guggulsterol IV
Formula C27H44O3
Mw 416.32904527
CAS RN 20281-70-3
C_ID C00064130
InChIKey GVAODFIKHWYQPE-ADNBUJSVSA-N
InChICode InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-18,20-23,30H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,25-,26-,27+/m1/s1
SMILES CC(C)CCCC(C)C1CCC2C3CC(=O)C4(O)CC(=O)CCC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCommiphora mukul Ref.
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