input word = C00022595

Metabolite InformationStructural formula
Name 3beta-Hydroxy-15-isovaleryloxy-ent-labda-7,13E-dien
Formula C25H42O3
Mw 390.31339521
CAS RN 113476-68-9
C_ID C00022595 ,
InChIKey BENJKNYADAOTQA-HVFGQIBKNA-N
InChICode InChI=1S/C25H42O3/c1-17(2)16-23(27)28-15-13-18(3)8-10-20-19(4)9-11-21-24(5,6)22(26)12-14-25(20,21)7/h9,13,17,20-22,26H,8,10-12,14-16H2,1-7H3/b18-13+/t20-,21-,22+,25-/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CC/C(=C/COC(=O)CC(C)C)/C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCorymbium villosum Ref.
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