input word = C00012402

Metabolite InformationStructural formula
Name Caleamyrcenolide
Formula C30H38O6
Mw 494.26683895
CAS RN 84749-85-9
C_ID C00012402 ,
InChIKey NUAAGTQABFJVQV-ZNOARAEVNA-N
InChICode InChI=1S/C30H38O6/c1-7-19(4)27(32)34-24-17-29(6)25(31)15-22(36-29)20(5)14-23-26(24)30(28(33)35-23)13-9-12-21(16-30)11-8-10-18(2)3/h7,10,12,14-15,23-24,26H,8-9,11,13,16-17H2,1-6H3/b19-7-,20-14+/t23-,24-,26+,29+,30-/m0/s1
SMILES CC=C(C)C(=O)OC1CC2(C)OC(=CC2=O)/C(C)=C/C2OC(=O)C3(CCC=C(CCC=C(C)C)C3)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea hymenolepis Ref.
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