input word = C00022738

Metabolite InformationStructural formula
Name ent-15-Acetoxy-7,13-labdadiene-2alpha,3alpha-diol
Formula C22H36O4
Mw 364.26135964
CAS RN 123085-34-7
C_ID C00022738 ,
InChIKey WUDCXBJIWCDVSH-JHXSKLMJNA-N
InChICode InChI=1S/C22H36O4/c1-14(11-12-26-16(3)23)7-9-17-15(2)8-10-19-21(4,5)20(25)18(24)13-22(17,19)6/h8,11,17-20,24-25H,7,9-10,12-13H2,1-6H3/b14-11+/t17-,18+,19-,20+,22-/m1/s1
SMILES [C@H]1([C@@H](C([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CC/C(=C/COC(=O)C)/C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeOphryosporus heptanthus Ref.
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