input word = C00059324

Metabolite InformationStructural formula
Name (4alpha,15beta)-13-Acetyloxy-15-hydroxy-kaur-16-en-18-oic acid
Formula C22H32O5
Mw 376.22497413
CAS RN 117176-42-8
C_ID C00059324
InChIKey CMDGWJSOVYHKNN-UNSLCEKCSA-N
InChICode InChI=1S/C22H32O5/c1-13-17(24)21-10-6-15-19(3,8-5-9-20(15,4)18(25)26)16(21)7-11-22(13,12-21)27-14(2)23/h15-17,24H,1,5-12H2,2-4H3,(H,25,26)/t15-,16-,17+,19+,20+,21+,22-/m0/s1
SMILES C=C1C(O)C23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(OC(C)=O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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