input word = C00021054

Metabolite InformationStructural formula
Name Subexpinnatin B
Formula C21H26O6
Mw 374.17293856
CAS RN 99305-08-5
C_ID C00021054 ,
InChIKey CARWXVQCHUGFKF-KRPSZUQRNA-N
InChICode InChI=1S/C21H26O6/c1-10-5-6-14-11(2)7-15(25-19(23)12(3)9-22)17-18(16(10)14)26-20(24)21(17)8-13(4)27-21/h13-18,22H,1-3,5-9H2,4H3/t13-,14+,15+,16+,17-,18-,21+/m1/s1
SMILES C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea canariensis Ref.
zoom in