input word = C00029400

Metabolite InformationStructural formula
Name 15-Hydroxy-16-acetoxy-ent-clerod-3-en-18-oic acid
Formula C22H36O5
Mw 380.25627426
CAS RN 1003568-04-4
C_ID C00029400 ,
InChIKey NHICXBFHDXVLOW-AAWIKVTINA-N
InChICode InChI=1S/C22H36O5/c1-15-8-11-22(4)18(20(25)26)6-5-7-19(22)21(15,3)12-9-17(10-13-23)14-27-16(2)24/h6,15,17,19,23H,5,7-14H2,1-4H3,(H,25,26)/t15-,17-,19-,21+,22+/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@@H](CC2)C)(CC[C@H](CCO)COC(=O)C)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis gaudichaudiana Ref.
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OrganismBaccharis gaudichaudiana
ReferenceGuo,Chem.Pharm.Bull.,55,(2007),1532