input word = C00023322

Metabolite InformationStructural formula
Name Peregrinol (diterpene)
Formula C20H36O2
Mw 308.27153039
CAS RN 17140-23-7
C_ID C00023322 ,
InChIKey LEOHDQKUMQKLMP-XVFDFQKFNA-N
InChICode InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19-,20-/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@H]([C@@](CC2)(C)O)CC/C(=C/CO)/C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium peregrinum Ref.
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OrganismMarrubium peregrinum
ReferenceSalei,Khim. Prir. Soedin.,(1967),301