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=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C[C@H](C)/C=CC(=O)[C@](C)(O)[C@@H]1OC(=O)/C(C)=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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