input word = C00012074

Metabolite InformationStructural formula
Name Cinnamoylechinadiol
Formula C24H32O4
Mw 384.23005951
CAS RN 102273-85-8
C_ID C00012074 ,
InChIKey JBAYXBWJNDAHDZ-KGTCUUHXNA-N
InChICode InChI=1S/C24H32O4/c1-16(2)21-19(27-20(25)13-12-18-10-6-5-7-11-18)15-17(3)9-8-14-24(4)23(28-24)22(21)26/h5-7,9-13,16,19,21-23,26H,8,14-15H2,1-4H3/b13-12+,17-9+/t19-,21-,22-,23+,24+/m1/s1
SMILES C/C1=CCC[C@]2(C)O[C@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)/C=C/c2ccccc2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEchinacea purpurea Ref.
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