input word = C00022437

Metabolite InformationStructural formula
Name 8betaH,ent-3eta,17-Dioxo-13Z-labden-15-oic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 74513-92-1
C_ID C00022437 ,
InChIKey IIXVPQNKGDRLOT-GJAQQLCQNA-N
InChICode InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(12-21)6-8-16-19(2,3)17(22)9-10-20(15,16)4/h11-12,14-16H,5-10H2,1-4H3,(H,23,24)/b13-11-/t14-,15-,16-,20+/m1/s1
SMILES C1C(=O)C([C@@H]2[C@@](C1)([C@@H]([C@H](CC2)C=O)CC/C(=C\C(=O)O)/C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAyapana amygdalina Ref.
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