input word = C00020523

Metabolite InformationStructural formula
Name Hymenopappolide
Formula C25H30O9
Mw 474.18898256
CAS RN 92632-37-6
C_ID C00020523 ,
InChIKey DTFKKMLQFZDQAO-MEQRZGQHNA-N
InChICode InChI=1S/C25H30O9/c1-5-15(11-27)23(29)32-12-16(7-9-26)24(30)33-18-10-13(2)17-6-8-25(4,31)20(17)21-19(18)14(3)22(28)34-21/h5-8,17-21,26-27,31H,2-3,9-12H2,1,4H3/b15-5+,16-7+/t17-,18-,19-,20+,21-,25+/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)COC(=O)/C(=C/C)CO)CC(=C)[C@@H]1C=C[C@@](C)(O)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenopappus newberryi Ref.
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OrganismHymenopappus newberryi
ReferenceBohlmann,Phytochem.,23,(1984),1055