input word = C00022776

Metabolite InformationStructural formula
Name 2beta,3alpha-Dihydroxy-ent-7,13E-labdadien-15-al
Formula C20H32O3
Mw 320.23514489
CAS RN 126214-20-8
C_ID C00022776 ,
InChIKey KQYCLDHQGYRDHM-PUDOXROENA-N
InChICode InChI=1S/C20H32O3/c1-13(10-11-21)6-8-15-14(2)7-9-17-19(3,4)18(23)16(22)12-20(15,17)5/h7,10-11,15-18,22-23H,6,8-9,12H2,1-5H3/b13-10+/t15-,16+,17-,18-,20+/m1/s1
SMILES [C@H]1([C@H](C([C@@H]2[C@@](C1)([C@@H](C(=CC2)C)CC/C(=C/C=O)/C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis paniculata Ref.
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