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 C12=CC(=O)[C@@](C[C@@H]([C@H]3[C@H](/C=C/1\C)OC(=O)[C@]13CC(=CCC1)CCC=C(C)C)OC(=O)/C(=C\C)/C)(O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea hymenolepis Ref.
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