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[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)[C@]3(C)C[C@H](O)[C@@H]4[C@H](OC(=O)[C@H]4C)[C@H]4C5(C)C6C(=O)[C@]17[C@@H]2C6(C)C5C(=O)[C@]437
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia leucodes Ref.
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