input word = C00022457

Metabolite InformationStructural formula
Name ent-Labda-8(17),13-dien-19-oic acid-15,16-olide
Formula C20H28O4
Mw 332.19875938
CAS RN 4678-53-9
C_ID C00022457 ,
InChIKey QFOOQUGGHZNYTN-SXBCQZPZNA-N
InChICode InChI=1S/C20H28O4/c1-13-5-8-16-19(2,9-4-10-20(16,3)18(22)23)15(13)7-6-14-11-17(21)24-12-14/h11,15-16H,1,4-10,12H2,2-3H3,(H,22,23)/t15-,16+,19-,20-/m1/s1
SMILES C1C[C@]([C@@H]2[C@](C1)([C@@H](C(=C)CC2)CCC1=CC(=O)OC1)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza schimperi Ref.
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OrganismConyza schimperi
ReferenceZdero,Phytochem.,29,(1990),3167