input word = C00020970

Metabolite InformationStructural formula
Name Artanomaloide
Formula C32H36O8
Mw 548.24101813
CAS RN 112823-41-3
C_ID C00020970 ,
InChIKey QRRHSLGZWSABSR-QQDWSRJDNA-N
InChICode InChI=1S/C32H36O8/c1-14-11-19(34)21-15(2)12-20(38-17(4)33)23-25(22(14)21)40-28(36)32(23)13-31-10-9-29(32,5)26(31)24-18(7-8-30(31,6)37)16(3)27(35)39-24/h9-11,18,20,22-26,37H,3,7-8,12-13H2,1-2,4-6H3/t18-,20-,22-,23+,24-,25-,26-,29+,30+,31-,32-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@@H]3C4(C=C[C@]3(C)C3(C4)C(=O)O[C@@H]4[C@H]5C(C)=CC(=O)C5=C(C)C[C@H](OC(C)=O)[C@H]43)[C@](C)(O)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia anomala Ref.
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OrganismArtemisia anomala
ReferenceJakupovic,Phytochem.,26,(1987),2777