input word = C00022256

Metabolite InformationStructural formula
Name (ent-3beta,8beta,13Z)-3,8-Dihydroxy-17-oxo-13-labden-15-oic acid
Formula C20H32O5
Mw 352.22497413
CAS RN 74513-95-4
C_ID C00022256 ,
InChIKey ODOIKGIBZIGTEY-NHBHUEJUNA-N
InChICode InChI=1S/C20H32O5/c1-13(11-17(23)24)5-6-15-19(4)9-8-16(22)18(2,3)14(19)7-10-20(15,25)12-21/h11-12,14-16,22,25H,5-10H2,1-4H3,(H,23,24)/b13-11-/t14-,15+,16-,19-,20+/m1/s1
SMILES C1[C@H](C([C@@H]2[C@@](C1)([C@@H]([C@@](CC2)(O)C=O)CC/C(=C\C(=O)O)/C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAyapana amygdalina Ref.
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