input word = C00023444

Metabolite InformationStructural formula
Name Koanophyllic acid D
Formula C20H28O4
Mw 332.19875938
CAS RN 80377-42-0
C_ID C00023444 ,
InChIKey SKTUTBQPNITOBA-IXGQTMDRNA-N
InChICode InChI=1S/C20H28O4/c1-13-6-7-16-15(5-4-9-20(16,3)18(22)23)19(13,2)10-8-14-11-17(21)24-12-14/h7,11,13,15H,4-6,8-10,12H2,1-3H3,(H,22,23)/t13-,15+,19+,20+/m0/s1
SMILES C1C[C@@](C2=CC[C@@H]([C@]([C@@H]2C1)(CCC1=CC(=O)OC1)C)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeKoanophyllon adamantium Ref.
PlantaeAsteraceaeKoanophyllon conglobatum Ref.
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