input word = C00000496

Metabolite InformationStructural formula
Name Pungiolide A
Formula C29H34O8
Mw 510.22536806
CAS RN 130395-54-9
C_ID C00000496 ,
InChIKey BGZGKGJBTWDZQU-FZZCDKAINA-N
InChICode InChI=1S/C29H34O8/c1-14-10-24-21(9-8-19(14)7-6-16(3)30)29(27(33)36-24)22(18(5)31)13-28(34)15(2)11-23-20(12-25(28)37-29)17(4)26(32)35-23/h6-8,13-15,20-21,23-25,34H,4,9-12H2,1-3,5H3/b7-6+/t14-,15+,20-,21-,23-,24+,25-,28+,29-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(O)C=C(C(C)=O)C4(O[C@@H]3C[C@H]12)C(=O)O[C@H]1C[C@@H](C)C(/C=C/C(C)=O)=CC[C@H]14
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium pungens Ref.
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OrganismXanthium pungens
ReferenceAhmed,Phytochem.,29,(1990),2211