input word = C00033602

Metabolite InformationStructural formula
Name 8-O-Isobutyryl-9alpha-Acetoxycumambrin B
Formula C21H28O7
Mw 392.18350325
CAS RN 299179-43-4
C_ID C00033602 ,
InChIKey KGAWQKMDSYZWHP-LZMRAKOSNA-N
InChICode InChI=1S/C21H28O7/c1-9(2)19(23)28-17-15-11(4)20(24)27-16(15)14-10(3)7-8-13(14)21(6,25)18(17)26-12(5)22/h7,9,13-18,25H,4,8H2,1-3,5-6H3/t13-,14+,15-,16-,17-,18-,21+/m1/s1
SMILES C1(=CC[C@@H]2[C@H]1[C@@H]1[C@H]([C@@H](OC(=O)C(C)C)[C@H]([C@]2(O)C)OC(=O)C)C(=C)C(=O)O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis carpatica Ref.
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