input word = C00022450

Metabolite InformationStructural formula
Name 3alpha-Hydroxy-7,13E-labdadien-15-oic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 73695-98-4
C_ID C00022450 ,
InChIKey KFWGTOAALSCZHD-KKVHCHIJNA-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/h7,12,15-17,21H,6,8-11H2,1-5H3,(H,22,23)/b13-12+/t15-,16-,17+,20-/m0/s1
SMILES C1[C@H](C([C@H]2[C@@](C1)([C@H](C(=CC2)C)CC/C(=C/C(=O)O)/C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChrysothamnus nauseosus Ref.
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