input word = C00031302

Metabolite InformationStructural formula
Name Sargaquinoic acid
Formula C27H36O4
Mw 424.26135964
CAS RN 70363-87-0
C_ID C00031302 ,
InChIKey IKUIJYZNRMQNBM-PIIINLNPSA-N
InChICode InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14+
SMILES C1=C(C(=O)C(=CC1=O)C/C=C(/CC/C=C(\C)/CC/C=C(\CCC=C(C)C)/C(=O)O)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeSargassum fallax Ref.
ChromalveolataSargassaceaeSargassum thunbergii Ref.
PlantaeAsteraceaeRoldana barba-johannis Ref.
PlantaeMyristicaceaeIryanthera juruensis Ref.
zoom in