input word = C00003231

Metabolite InformationStructural formula
Name Chromolaenide
Formula C22H28O7
Mw 404.18350325
CAS RN 66148-25-2
C_ID C00003231 ,
InChIKey FOCCASNSHDSZLN-MEYORDEMNA-N
InChICode InChI=1S/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11-/t17-,18+,19-,20+/m0/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)/C=C(\[C@H](C/C=C(/C[C@H]2OC(=O)/C(=C/CO)/C)\C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChromolaena glaberrima Ref.
PlantaeAsteraceaeIsocarpha oppositifolia Ref.
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