input word = C00022597

Metabolite InformationStructural formula
Name 3beta-Malonyloxy-15-hydroxy-ent-labda-7,13E-dien
Formula C23H36O5
Mw 392.25627426
CAS RN 113476-69-0
C_ID C00022597 ,
InChIKey CTDDJAPBAKTNOG-GIDPUFOHNA-N
InChICode InChI=1S/C23H36O5/c1-15(11-13-24)6-8-17-16(2)7-9-18-22(3,4)19(10-12-23(17,18)5)28-21(27)14-20(25)26/h7,11,17-19,24H,6,8-10,12-14H2,1-5H3,(H,25,26)/b15-11+/t17-,18-,19+,23-/m1/s1
SMILES CC1=CC[C@@H]2C(C)(C)[C@@H](OC(=O)CC(=O)O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO
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