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 C=C1[C@H](O)CC2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAyapana amygdalina Ref.
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