input word = C00012313

Metabolite InformationStructural formula
Name Caleurticolide angelate
Formula C24H30O8
Mw 446.19406794
CAS RN 71052-13-6
C_ID C00012313 ,
InChIKey JZPQLIUKOAJRPF-RVQDHWDMNA-N
InChICode InChI=1S/C24H30O8/c1-8-14(5)22(27)32-20-19(31-21(26)12(2)3)18-15(6)23(28)30-16(18)11-13(4)9-10-17(25)24(20,7)29/h8-10,13,16,18-20,29H,2,6,11H2,1,3-5,7H3/b10-9-,14-8-/t13-,16-,18-,19+,20-,24+/m1/s1
SMILES [C@H]12[C@H](OC(=O)C1=C)C[C@@H](/C=C\C(=O)[C@]([C@@H]([C@H]2OC(=O)C(=C)C)OC(=O)/C(=C\C)/C)(C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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