input word = C00022742

Metabolite InformationStructural formula
Name ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid
Formula C20H32O4
Mw 336.23005951
CAS RN 74513-88-5
C_ID C00022742 ,
InChIKey KFLJRFXJPZLVBH-VNCJDDFTNA-N
InChICode InChI=1S/C20H32O4/c1-12(10-18(23)24)6-7-14-13(2)15(21)11-16-19(3,4)17(22)8-9-20(14,16)5/h10,14-17,21-22H,2,6-9,11H2,1,3-5H3,(H,23,24)/b12-10-/t14-,15-,16-,17-,20+/m1/s1
SMILES C1[C@H](C([C@@H]2[C@@](C1)([C@@H](C(=C)[C@@H](C2)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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OrganismAyapana amygdalina
ReferenceBohlmann,Phytochem.,18,(1979),1997