input word = C00022596

Metabolite InformationStructural formula
Name 3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Formula C26H44O3
Mw 404.32904527
CAS RN
C_ID C00022596 ,
InChIKey PSCPTEHCJTYRLJ-NSVAEBFUNA-N
InChICode InChI=1S/C26H44O3/c1-18(13-15-29-17-19(2)16-21(4)27)8-10-22-20(3)9-11-23-25(5,6)24(28)12-14-26(22,23)7/h9,13,19,22-24,28H,8,10-12,14-17H2,1-7H3/b18-13+/t19-,22-,23-,24+,26-/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CC/C(=C/COC[C@@H](CC(=O)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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OrganismCorymbium villosum
ReferenceZdero,Phytochem.,27,(1988),227