input word = C00022515

Metabolite InformationStructural formula
Name ent-3beta-Hydroxy-8(17),13Z-labdadien-15-oic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 74559-97-0
C_ID C00022515 ,
InChIKey LNWOKEZJIRLIDO-ZNMBHTRDNA-N
InChICode InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12-/t15-,16-,17-,20-/m1/s1
SMILES C1[C@H](C([C@@H]2[C@](C1)([C@@H](C(=C)CC2)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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