input word = C00020971

Metabolite InformationStructural formula
Name Artelein
Formula C30H36O8
Mw 524.24101813
CAS RN 103654-30-4
C_ID C00020971 ,
InChIKey CKMHESNVPBWOMB-UHMKOVMRNA-N
InChICode InChI=1S/C30H36O8/c1-9-13-11(31)7-25(3)26(4)8-12(32)14-10(2)24(36)38-16(14)18-28(6)19-21(33)29(25)17(15(13)37-23(9)35)27(19,5)20(28)22(34)30(18,26)29/h9-20,31-32H,7-8H2,1-6H3/t9-,10-,11-,12-,13+,14+,15+,16+,17-,18-,19+,20-,25-,26-,27-,28+,29+,30+/m0/s1
SMILES [C@H]12[C@H]([C@@H]3[C@@]45[C@@](C[C@@H]1O)([C@]1([C@@]64[C@@H]([C@H]4[C@@H]([C@H](C1)O)[C@@H](C(=O)O4)C)[C@]1([C@H]([C@@]3([C@H]1C5=O)C)C6=O)C)C)C)OC(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia leucodes Ref.
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