input word = C00012310

Metabolite InformationStructural formula
Name Juanislamin
Formula C23H28O8
Mw 432.17841787
CAS RN 75628-10-3
C_ID C00012310 ,
InChIKey TXWWBAZJPNQNMZ-NIQWJVHHNA-N
InChICode InChI=1S/C23H28O8/c1-11(2)20(25)30-18-17-14(6)22(27)29-15(17)10-13(5)8-9-16(24)23(7,28)19(18)31-21(26)12(3)4/h8-9,13,15,17-19,28H,1,3,6,10H2,2,4-5,7H3/b9-8-/t13-,15+,17+,18-,19-,23-/m0/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)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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