input word = C00033604

Metabolite InformationStructural formula
Name 8-O-Tigloyl-9alpha-acetoxycumambrin B
Formula C22H28O7
Mw 404.18350325
CAS RN 481070-24-0
C_ID C00033604 ,
InChIKey XIBTVZWKFHSPAL-VUQCPDTQNA-N
InChICode InChI=1S/C22H28O7/c1-7-10(2)20(24)29-18-16-12(4)21(25)28-17(16)15-11(3)8-9-14(15)22(6,26)19(18)27-13(5)23/h7-8,14-19,26H,4,9H2,1-3,5-6H3/b10-7+/t14-,15+,16-,17-,18-,19-,22+/m1/s1
SMILES C1(=CC[C@@H]2[C@H]1[C@@H]1[C@H]([C@@H](OC(=O)/C(=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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OrganismAnthemis carpatica
ReferenceStaneva,Phytochem.,69,(2008),607